Product Name

  • Name

    irehdiamine A

  • EINECS
  • CAS No. 3614-57-1
  • Article Data2
  • CAS DataBase
  • Density 1.04g/cm3
  • Solubility
  • Melting Point 148°C
  • Formula C21H36 N2
  • Boiling Point 427.8°Cat760mmHg
  • Molecular Weight 316.53
  • Flash Point 254.6°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 3614-57-1 (irehdiamine A)
  • Hazard Symbols
  • Synonyms Pregn-5-ene-3b,20a-diamine (7CI,8CI); 3b,20a-Diaminopregn-5-ene; Irehdiamine A; Irehidamine A
  • PSA 52.04000
  • LogP 5.64050

Irehdiamine A Chemical Properties

Empirical Formula of Irehdiamine A (CAS NO.3614-57-1): C21H36N2
Molecular Weight: 316.5239 g/mol
Flash Point: 254.6 °C
Enthalpy of Vaporization: 68.29 kJ/mol
Boiling Point: 427.8 °C at 760 mmHg
Vapour Pressure: 1.59E-07 mmHg at 25 °C
Structure of Irehdiamine A (CAS NO.3614-57-1):
                        
IUPAC Name: (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-Aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Canonical SMILES: CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)N)C)C)N
Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)N)C)C)N
InChI: InChI=1S/C21H36N2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19H,5-12,22-23H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: XDELLWIDOQOKHV-YZXCLFAISA-N

Irehdiamine A Toxicity Data With Reference

1.    

mmo-omi 200 µg/plate

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 58 (1967),256.
2.    

dni-omi 60 µmol/L

     PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 58 (1967),256.

Irehdiamine A Safety Profile

Mutation data reported. When heated to decomposition Irehdiamine A (CAS NO.3614-57-1) emits toxic fumes of NOx.

Irehdiamine A Specification

 Irehdiamine A , its cas register number is 3614-57-1. It also can be called Pregn-5-ene-3,20-diamine, (3-beta,20S)- (9CI) ; and Pregn-5-ene-3-beta,20-alpha-diamine .

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