Cas no 63765-92-4 (2-phenylhexan-1-aminium chloride)
63765-92-4 structure
Product Name:2-phenylhexan-1-aminium chloride
CAS No:63765-92-4
MF:C12H20ClN
MW:213.74690246582
CID:1667778
PubChem ID:44692
Update Time:2025-04-21
2-phenylhexan-1-aminium chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-phenylhexan-1-aminium chloride
- 2-Phenylhexan-1-amine hydrochloride (1:1)
- benzeneethanamine, beta-butyl-, hydrochloride (1:1)
- 2-phenylhexylazanium,chloride
- HEXYLAMINE, 2-PHENYL-, HYDROCHLORIDE
- USAF EL-16
- 63765-92-4
- 2-Phenylhexylamine hydrochloride
-
- Inchi: 1S/C12H19N.ClH/c1-2-3-7-12(10-13)11-8-5-4-6-9-11;/h4-6,8-9,12H,2-3,7,10,13H2,1H3;1H
- InChI Key: ROMSRIRQMRUQQA-UHFFFAOYSA-N
- SMILES: [Cl-].[NH3+]CC(C1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 192.972
- Monoisotopic Mass: 213.128427
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 116
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 27.6
Experimental Properties
- Boiling Point: 261°C at 760 mmHg
- Flash Point: 109.5°C
- PSA: 22.3
2-phenylhexan-1-aminium chloride Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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