Cas no 63765-92-4 (2-phenylhexan-1-aminium chloride)

2-phenylhexan-1-aminium chloride structure
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
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