Benzenepropanamine
- Formula: C9H13N
- Molecular weight: 135.2062
- IUPAC Standard InChI: InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
- IUPAC Standard InChIKey: LYUQWQRTDLVQGA-UHFFFAOYSA-N
- CAS Registry Number: 2038-57-5
- 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: Propylamine, 3-phenyl-; γ-Phenyl-n-propylamine; γ-Phenylpropylamine; Hydrocinnamylamine; 1-Amino-3-phenylpropane; 3-Phenyl-n-propylamine; 3-Phenyl-1-propanamine; 3-Phenylpropylamine; 3-Phenyl-1-propylamine; 3-Phenyl-1-aminopropane; 3-Phenylpropanamine; NSC 87080
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Phase change data
Go To: Top, 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 494.2 | K | N/A | Aldrich Chemical Company Inc., 1990 |
Gas phase ion energetics data
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 as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Gas basicity at 298K
| Gas basicity (review) (kcal/mol) | Reference | Comment |
|---|---|---|
| 220. ± 2. | Cardoso, Alexandre, et al., 1998 | 2-picoline; piperidine; MM |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.89 ± 0.12 | PE | Domelsmith, Munchausen, et al., 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C9H10+ | 9.5 ± 0.1 | NH3 | EI | Schwarz, Wesdemiotis, et al., 1975 | LLK |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Other | Methyl Silicone | 1205. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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]
Cardoso, Alexandre, et al., 1998
Cardoso, A.M.; Alexandre, S.M.G.; Barros, C.M.F.; Ferrer-Correia, A.J.; Nibbering, N.M.M.,
Proton Affinities of Phenylalkylamines by the Kinetic Method,
Int. J. Mass Spectrom. Ion. Processes, 1998, 172, 123. [all data]
Domelsmith, Munchausen, et al., 1977
Domelsmith, L.N.; Munchausen, L.L.; Houk, K.N.,
Photoelectron spectra of psychotropic drugs. 1. Phenethylamines, tryptamines, and LSD,
J. Am. Chem. Soc., 1977, 99, 4311. [all data]
Schwarz, Wesdemiotis, et al., 1975
Schwarz, H.; Wesdemiotis, C.; Hess, B.; Levsen, K.,
Massenspektrometrische Untersuchung organischer Stickstoffverbindungen,
Org. Mass Spectrom., 1975, 10, 595. [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
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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