Cas no 26232-35-9 (1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-)

1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro- structure
26232-35-9 structure
Product Name:1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-
CAS No:26232-35-9
MF:C10H12ClN
MW:181.661981582642
CID:257511
PubChem ID:117762
Update Time:2025-04-19

1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-
    • 6-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine
    • D74800
    • Skf 101055
    • SK&F-101055
    • DTXSID70180868
    • 6-Chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine
    • SK&F 101055
    • 26232-35-9
    • SCHEMBL10879871
    • CS-0089049
    • 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-
    • KGJFKHNSLOSGMN-UHFFFAOYSA-N
    • Inchi: 1S/C10H12ClN/c11-10-3-1-2-8-4-6-12-7-5-9(8)10/h1-3,12H,4-7H2
    • InChI Key: KGJFKHNSLOSGMN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1CCNCC2

Computed Properties

  • Exact Mass: 181.06596
  • Monoisotopic Mass: 181.066
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 1.121
  • Boiling Point: 300.3°C at 760 mmHg
  • Flash Point: 135.4°C
  • Refractive Index: 1.545
  • PSA: 12.03
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