Product Name

  • Name

    N-Benzyloxycarbonyl-3-phenyl-L-alanine 1,2-dibromoethyl ester

  • EINECS
  • CAS No. 64187-43-5
  • Article Data2
  • CAS DataBase
  • Density 1.573g/cm3
  • Solubility
  • Melting Point
  • Formula C19H19 Br2 N O4
  • Boiling Point 589°C at 760 mmHg
  • Molecular Weight 485.172
  • Flash Point 310°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal and intravaginal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br− and NOx. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64187-43-5 (N-Benzyloxycarbonyl-3-phenyl-L-alanine 1,2-dibromoethyl ester)
  • Hazard Symbols
  • Synonyms N-Benzyloxycarbonyl-L-phenylalanine-1,2-dibromoethylester; N-Carbobenzoxy-L-phenylalanine-1,2-dibromoethyl ester
  • PSA 68.12000
  • LogP 4.38760

N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester Chemical Properties

IUPAC Name: 1,2-dibromoethyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate 
Empirical Formula: C19H19Br2NO4
Molecular Weight: 485.1665g/mol
Index of Refraction: 1.603
Molar Refractivity: 105.97 cm3
Molar Volume: 308.3 cm3
Polarizability: 42.01×10-24cm3
Surface Tension: 52.8 dyne/cm
Density: 1.573 g/cm3
Flash Point: 310 °C
Enthalpy of Vaporization: 87.92 kJ/mol
Boiling Point: 589 °C at 760 mmHg
Vapour Pressure: 7.47E-14 mmHg at 25°C
Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)OC(CBr)Br)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)OC(CBr)Br)NC(=O)OCC2=CC=CC=C2
InChI: InChI=1S/C19H19Br2NO4/c20-12-17(21)26-18(23)16(11-14-7-3-1-4-8-14)22-19(24)25-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,22,24)/t16-,17?/m0/s1
InChIKey: MKSYZNVUGBAASI-BHWOMJMDSA-N
Structure of N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester (CAS NO.64187-43-5):

N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester Toxicity Data With Reference

1.    

ipr-mus LD50:73 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 20 (1977),1578.
2.    

ivg-mus LD50:74 mg/kg

     JPMSAE    Journal of Pharmaceutical Sciences. 68 (1979),696.

N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester Safety Profile

Poison by intraperitoneal and intravaginal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br− and NOx. See also ESTERS.

N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester Specification

  N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester ,  its cas register number is 64187-43-5. It also can be called  L-N-Benzyloxycarbonyl-3-phenylalanine 1,2-dibromoethyl ester . N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester (CAS NO.64187-43-5) is toxic and should be kept away from food .

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