Cas no 47117-06-6 (1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI))

1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) structure
47117-06-6 structure
Product Name:1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
CAS No:47117-06-6
MF:C20H37N
MW:291.514486074448
CID:334346
PubChem ID:221540
Update Time:2025-04-19

1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
    • 47117-06-6
    • NSC6377
    • NSC-6377
    • Inchi: 1S/C20H37N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h14-18H,5-13,21H2,1-4H3/t15-,16-,17-,18-,19-,20+/m0/s1
    • InChI Key: XFTYNVYVQAMCAC-RPZLJYRGSA-N
    • SMILES: NC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@H]21

Computed Properties

  • Exact Mass: 291.293
  • Monoisotopic Mass: 291.293
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 376
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • Density: 0.909
  • Boiling Point: 349.7°Cat760mmHg
  • Flash Point: 162.3°C
  • Refractive Index: 1.485
  • PSA: 26.02000
  • LogP: 5.94040
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