Risocaine
- Formula: C10H13NO2
- Molecular weight: 179.2157
- IUPAC Standard InChIKey: NBFQYHKHPBMJJV-UHFFFAOYSA-N
- CAS Registry Number: 94-12-2
- 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: n-Propyl p-aminobenzoate; n-Propyl-4-aminobenzoate; Propyl-p-amino benzoate; Benzoic acid, 4-amino-, propyl ester; p-Aminobenzoic acid, propyl ester; Benzoic acid, p-amino-, propyl ester; Keloform P; Propaesin; Propazyl; Propesin; Propesine; Propyl 4-aminobenzoate; Propylcain; Raythesin; 4-(Propoxycarbonyl)aniline; NSC-23516
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 345.8 | K | N/A | Manzo and Ahumanda, 1990 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 347. | K | N/A | Neau, Flynn, et al., 1989 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 346. | K | N/A | Schwartz and Paruta, 1976 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 346. | K | N/A | Yalkowsky, Flynn, et al., 1972 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.54 | 347.1 | Acree, 1991 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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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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 | NIST Mass Spectrometry Data Center, 2010 |
NIST MS number | 374534 |
Gas Chromatography
Go To: Top, Phase change 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 1731. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | JXR | 180. | 1659. | von Buchi, Lorini, et al., 1972 | |
Capillary | JXR | 200. | 1670. | von Buchi, Lorini, et al., 1972 |
References
Go To: Top, Phase change 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.
Manzo and Ahumanda, 1990
Manzo, R.H.; Ahumanda, A.A.,
Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of Di-substituted benzene derivatives in ethanol: Water and ethanol: Cyclohexane mixtures,
J. Pharm. Sci., 1990, 79, 12, 1109, https://doi.org/10.1002/jps.2600791214
. [all data]
Neau, Flynn, et al., 1989
Neau, S.H.; Flynn, G.L.; Yalkowsky, S.H.,
Int. J. Pharm., 1989, 49, 223. [all data]
Schwartz and Paruta, 1976
Schwartz, P.A.; Paruta, A.N.,
Solution thermodynamics of alkyl p-aminobenzoates,
J. Pharm. Sci., 1976, 65, 252. [all data]
Yalkowsky, Flynn, et al., 1972
Yalkowsky, S.H.; Flynn, G.L.; Slunick, T.G.,
Importance of chain length on physicochemical and crystalline properties of organic homologs,
J. Pharm. Sci., 1972, 61, 852. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
von Buchi, Lorini, et al., 1972
von Buchi, J.; Lorini, V.; Perlia, X.,
Gaschromatographische Untersuchung einiger homologer Reihen von Lokalanaesthetica,
Pharm. Acta Helv., 1972, 47, 65, 377-393. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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