Cas no 95630-79-8 (Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel-)

Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel- structure
95630-79-8 structure
Product Name:Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel-
CAS No:95630-79-8
MF:C8H15NO
MW:141.210802316666
CID:799641
PubChem ID:11863584
Update Time:2025-04-19

Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel-
    • [(1S,2S,3R,4R)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
    • Bicyclo[2.2.1]heptane-2-methanol, 3-amino-, (1R,2R,3S,4S)-rel- (9CI)
    • DIENDO-(3-AMINO-BICYCLO[2.2.1]HEPT-2-YL)-METHANOL
    • 2-exo-amino-3-exo-(hydroxymethyl)bicyclo[2.2.1]heptane
    • di-exo-3-amino-bicyclo[2.2.1]hept-2-ylmethanol
    • di-exo-3-aminobicyclo[2.2.1]heptane-2-methanol
    • diexo-3-hydroxymethylbicyclo[2.2.1]heptane-2-amine
    • AKOS006283751
    • 95630-79-8
    • Inchi： 1S/C8H15NO/c9-8-6-2-1-5(3-6)7(8)4-10/h5-8,10H,1-4,9H2/t5-,6+,7-,8+/m0/s1
    • InChI Key： QGMMKSUHQMVLRO-FKSUSPILSA-N
    • SMILES： OC[C@@H]1[C@@H]([C@@H]2CC[C@H]1C2)N

Computed Properties

  • Exact Mass: 141.11500
  • Monoisotopic Mass: 141.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.8
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • Density: 1.075
  • Boiling Point: 241.024°C at 760 mmHg
  • Flash Point: 99.568°C
  • Refractive Index: 1.523
  • PSA: 46.25000
  • LogP: 1.05240

Bicyclo[2.2.1]heptane-2-methanol,3-amino-, (1R,2R,3S,4S)-rel- Pricemore >>

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