1H-Imidazole, 4,5-dihydro-2-(phenylmethyl)-
- Formula: C10H12N2
- Molecular weight: 160.2157
- IUPAC Standard InChIKey: JIVZKJJQOZQXQB-UHFFFAOYSA-N
- CAS Registry Number: 59-98-3
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Imidazoline, 2-benzyl-; Artonil; Benzazoline; Benzidazol; Benzolin; Benzylimidazoline; Dilatol ASI; Divascol; Imidalin; Kasimid; Lambril; Olitensol; Peripherine; Phenylmethylimidazoline; Prefaxil; Priscol; Priscoline; Tolazolin; Tolazoline; Vasimid; Vasodil; Vasodilatan; 2-Benzyl-2-imidazoline; 2-Benzyl-4,5-imidazoline; 2-Benzylimidazoline; CIBA 3259; Imidaline; 4,5-Dihydro-2-(phenylmethyl)-1H-imidazole; Benzolin (vasodilator); NSC 35110
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Gas phase ion energetics data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.50 | PE | De Jong and van Dam, 1979 | Vertical value |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Source reference | COBLENTZ NO. 05170 |
Date | 1962/06/12 |
Name(s) | 2-benzyl-4,5-dihydro-1H-imidazole 2-BENZYL-2-IMIDAZOLINE |
State | SOLID (KBr DISC) VS KBr |
Instrument | PERKIN-ELMER 21 (GRATING) |
Instrument parameters | FILTER AT ABOUT 10 MICRONS |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Mass spectrum (electron ionization)
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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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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Tox21 Consortium/NIST Mass Spectrometry Data Center, 2012 |
NIST MS number | 408031 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Lang (editor), 1966 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19981 |
Instrument | Zeiss VSU-1 |
Melting point | 172.5-175 |
Gas Chromatography
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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 |
---|---|---|---|---|---|
Capillary | BP-1 | 130. | 1477. | Japp, Gill, et al., 1987 | 25. m/0.22 mm/0.25 μm, N2 |
Capillary | DB-1 | 130. | 1465. | Japp, Gill, et al., 1987 | 30. m/0.53 mm/1.5 μm, N2 |
Capillary | BP-1 | 130. | 1474. | Japp, Gill, et al., 1987 | 25. m/0.53 mm/1. μm, N2 |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 1510. | McLinden and Stenhouse, 1979 | N2, Chromosorb W; Column length: 2. m; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1471. | 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 | 1471. | Perrigo, Ballantyne, et al., 1984 | 15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C |
Packed | SE-30 | 1490. | 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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Other | Methyl Silicone | 1490. | Ardrey and Moffat, 1981 | Program: not specified |
Other | Methyl Silicone | 1510. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
De Jong and van Dam, 1979
De Jong, A.P.; van Dam, H.,
Ultraviolet photoelectron spectroscopy of cyclic amidines. 1. Electronic structure of some α-adrenergic benzylimidazolines,
J. Med. Chem., 1979, 22, 1290. [all data]
Lang (editor), 1966
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1966, 7, 199. [all data]
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [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]
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]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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