Cas no 71954-30-8 (Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5S)-rel-)

Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5S)-rel- structure
71954-30-8 structure
Product Name:Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5S)-rel-
CAS No:71954-30-8
MF:C10H22N2
MW:170.295082569122
CID:544767
PubChem ID:6950124
Update Time:2025-04-19

Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, (1R,5S)-rel-
    • 71954-30-8
    • cis-Isophoronediamine
    • 911028-53-0
    • (1R,3S)-3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine
    • Z9SP4Z9EKZ
    • SCHEMBL8739288
    • UNII-Z9SP4Z9EKZ
    • Isophoronediamine, cis-
    • Q27295191
    • Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, cis-
    • Inchi: 1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3/t8-,10-/m1/s1
    • InChI Key: RNLHGQLZWXBQNY-PSASIEDQSA-N
    • SMILES: N[C@@H]1CC(C)(C)C[C@](C)(CN)C1

Computed Properties

  • Exact Mass: 170.178298710g/mol
  • Monoisotopic Mass: 170.178298710g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 52?2
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