Nikethamide
- Formula: C10H14N2O
- Molecular weight: 178.2310
- IUPAC Standard InChIKey: NCYVXEGFNDZQCU-UHFFFAOYSA-N
- CAS Registry Number: 59-26-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 3-Pyridinecarboxamide, N,N-diethyl-; Nicotinamide, N,N-diethyl-; Anacardone; Anacordone; Astrocar; Canfodiamina; Carbamidal; Cardamine; Cardiamid; Cardiamide; Cardiamine; Cardimon; Coracon; Coramine; Cordiamin; Cordiamine; Corediol; Cormed; Cormid; Cormotyl; Cornotone; Corvin; Corvitol; Corvotone; Diethylnicotinamide; Dynacoryl; Eucoran; Kordiamin; N,N-Diethylnicotinamide; Ni-Cor; Niamine; Nicamide; Nicetamide; Nicethamide; Nicorine; Nicotinic acid diethylamide; Nikardin; Niketamide; Niketharol; Nikethyl; Nikorin; Percoral; Pyricardyl; Pyridine-3-carboxydiethylamide; Pyridine-3-carboxylic acid diethylamide; Reformin; Rehormin; Salvacard; Sancora; Solyacord; Stimulin; Ventramine; β-Pyrimidum; Camphozone; Cardiagen; Cardiamina; Citocor; Coraetamidum; Coraethamide; Coraethamidum; Coralept; Coravita; Corazone; Cordiamid; Corditon; Cordynil; Corespin; Corethamide; Coretone; Corivo; Corotonin; Corovit; Corvitan; Corywas; Danamine; Diaethyl-nicotinamid; Diethyl-Nicotamide; Dietilamide-Carbopiridina; Dinacoryl; Dynamicarde; Elitone; Hansacor; Inicardio; Kardiamid; Kardonyl; Leptamin; Mediamid; Nicordamin; Nicoryl; Niketamid; Niketilamid; Nikotin; Niquetamida; Procardine; Procorman; Salvacorin; Stellamine; Stiminol; Tonocard; Tonocor; Vasazol; Diethylamid kyseliny nikotinove; N,N-Diethyl-3-pyridinecarboxamide; Nisetamide; Coractiv N; Ecoran; Niketamine; 3-(N,N-Diethylcarbamoyl)pyridine
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Robert L. Brown and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 571.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C10H14N2O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 224.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 217.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.65 | PE | Dougherty, Younathan, et al., 1978 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291418 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 140. | 1520. | Musumarra, Scarlata, et al., 1987 | N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m |
Packed | Apiezon L | 160. | 1487. | Huber, Kenndler, et al., 1979 | |
Packed | OV-101 | 150. | 1503. | Delley and Friedrich, 1977 | Gas Chrom Q (80-100 mesh) |
Packed | Apiezon L | 160. | 1486. | Donike and Stratmann, 1976 | Chromosorb W |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1536. | Schepers, Wijsbeek, et al., 1982 | 12. m/0.22 mm/0.45 μm, He, 120. C @ 2. min, 8. K/min, 300. C @ 12. min |
Capillary | SE-30 | 1515. | Schepers, Wijsbeek, et al., 1982 | 25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 1530. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
Packed | SE-30 | 1500. | Moffat, Stead, et al., 1974 | Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-20M | 180. | 2319. | Huber, Kenndler, et al., 1979 | N2 |
Packed | PEG-20M | 180. | 2319. | Donike and Stratmann, 1976 | Chromosorb W |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1497. | Perrigo, Peel, et al., 1985 | 15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | DB-1 | 1497. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | DB-1 | 1500. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 12. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | DB-1 | 1500. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 15. K/min, 280. C @ 5. min; Tstart: 120. C |
Capillary | DB-1 | 1494. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 5. K/min, 280. C @ 5. min; Tstart: 120. C |
Packed | SE-30 | 1500. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Apieson L / KOH | 150. | 1457. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1459. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1462. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1463. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1466. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 150. | 1470. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1503. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1506. | Caddy, Fish, et al., 1973 | |
Capillary | Apieson L / KOH | 190. | 1511. | Caddy, Fish, et al., 1973 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-1 | 1510. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Packed | SE-30 | 1505. | Marozzi, Gambaro, et al., 1982 | Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Other | Methyl Silicone | 1525. | Ardrey and Moffat, 1981 | Program: not specified |
Capillary | Apieson L / KOH | 1464. | Caddy, Fish, et al., 1973 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M / KOH | 190. | 2375. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 190. | 2386. | Caddy, Fish, et al., 1973 | |
Capillary | Carbowax 20M / KOH | 190. | 2399. | Caddy, Fish, et al., 1973 |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2353. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P.,
Photoelectron spectroscopy of some biological molecules,
J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]
Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G.,
Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30,
J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154
. [all data]
Huber, Kenndler, et al., 1979
Huber, J.F.K.; Kenndler, E.; Reich, G.,
Quantitation of the Information Content of Multi-Dimensional Gas Chromatography and Low- Resolution Mass Spectrometry in the Identification of Doping Drugs,
J. Chromatogr., 1979, 172, 1, 15-30, https://doi.org/10.1016/S0021-9673(00)90941-5
. [all data]
Delley and Friedrich, 1977
Delley, R.; Friedrich, K.,
System CG 72 von bevorzugten Trennflüssigkeiten für die Gas-Chromatographie,
Chromatographia, 1977, 10, 10, 593-600, https://doi.org/10.1007/BF02265037
. [all data]
Donike and Stratmann, 1976
Donike, M.; Stratmann, D.,
Gas-chromatographische identifizierung von stimulantien der phenyläthylaminreihe mit hilfe der retnetions-indices,
Z. Anal. Chem., 1976, 279, 2, 129-131, https://doi.org/10.1007/BF00440798
. [all data]
Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A.,
Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices,
J. Forensic Sci., 1982, 27, 1, 49-60. [all data]
McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M.,
A chromatography system for drug identification,
Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2
. [all data]
Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W.,
Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography,
J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3
. [all data]
Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J.,
Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology.,
J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6
. [all data]
Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W.,
Condierations in developing a data base for drugs on a DBI capillary column,
J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360
. [all data]
Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W.,
The use of retention indices and temperature-programmed gas chromatography in analytical toxicology,
J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219
. [all data]
Caddy, Fish, et al., 1973
Caddy, B.; Fish, F.; Scott, D.,
Chromatographic screening for drugs of abuse using capillary columds. II. Peak identification on support coated open tubular columns for a series of central nervous system stimulating drugs,
Chromatographia, 1973, 6, 7, 293-300, https://doi.org/10.1007/BF02269329
. [all data]
Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F.,
Use of the retention index in gas chromatographic studies of drugs,
J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185
. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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