Product Name

  • Name

    2-{[bis(2-chloroethyl)amino]methyl}-L-phenylalanine

  • EINECS
  • CAS No. 2185-98-0
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C14H20Cl2N2O2•2ClH
  • Boiling Point 394.6°Cat760mmHg
  • Molecular Weight 392.18
  • Flash Point 192.4°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Human blood effects by intravenous route. When heated to decomposition it emits very toxic fumes of HCl, NOx, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 2185-98-0 (2-{[bis(2-chloroethyl)amino]methyl}-L-phenylalanine)
  • Hazard Symbols
  • Synonyms Ocaphane;Phenylalanine,2-[[bis(2-chloroethyl)amino]- methyl]-,dihydrochloride;AT 581;o-BIS(2-CHLOROETHYL)AMINO METHYL PHENYLALANINE HYDROCHLORIDE;3-(o-((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)ALANINE DIHYDROCHLORIDE;2-((BIS(2-CHLOROETHYL)AMINO)METHYL)-PHENYLALANINE DIHYDROCHLORIDE (9CI);
  • PSA
  • LogP

Ocaphane Chemical Properties

IUPAC name: [2-(2-Azaniumyl-3-hydroxy-3-oxopropyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride 
Molecular Formula: C14H22Cl4N2O2
Molecular Weight: 392.148680 g/mol
Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-]
InChI: InChI=1S/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20;/h1-4,13H,5-10,17H2,(H,19,20);2*1H
Flash Point: 192.4 °C
Enthalpy of Vaporization: 67.98 kJ/mol
Boiling Point: 394.6 °C at 760 mmHg
Vapour Pressure: 6.2E-07 mmHg at 25 °C
Following is the structure of Ocaphane (CAS NO.2185-98-0):
       

Ocaphane Toxicity Data With Reference

1.    

ivn-hmn TDLo:2 mg/kg/10 D-I:BLD

     XPHPAW    U.S. Public Health Service Publication. 441 (1974),186.
2.    

ipr-mus LD50:5900 µg/kg

     SSINAV    Scientia Sinica. 13 (1964),789.

Ocaphane Safety Profile

Poison by intraperitoneal route. Human blood effects by intravenous route. When heated to decomposition, Ocaphane (CAS NO.2185-98-0) emits very toxic fumes of HCl, NOx, and Cl−.

Ocaphane Specification

 Ocaphane , its cas register number is 2185-98-0. It also can be called o-Bis(2-chloroethyl aminomethylphenylalanine hydrochloride ; AT-581 ; and 3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride . And its classification code is Drug / Therapeutic Agent.

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