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Cas Database |
| Name |
N-Carbobenzoxy-L-phenylalanine 1,2-dibromoethyl ester |
EINECS | N/A |
| CAS No. | 64187-43-5 | Density | 1.573g/cm3 |
| PSA | 68.12000 | LogP | 4.38760 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H19 Br2 N O4 | Boiling Point | 589°C at 760 mmHg |
| Molecular Weight | 485.172 | Flash Point | 310°C |
| Transport Information | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N-Benzyloxycarbonyl-L-phenylalanine-1,2-dibromoethylester; N-Carbobenzoxy-L-phenylalanine-1,2-dibromoethyl ester |
Article Data | 2 |
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):
.bmp)
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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