Nitrocaphane
Names
[ CAS No. ]:
54940-95-3
[ Name ]:
Nitrocaphane
[Synonym ]:
Nitrocaphane
At-1258
Phenylalanine,2-((bis(2-chloroethyl)amino)methyl)-5-nitro
2-((Bis(2-chloroethyl)amino)methyl)-5-nitrophenylalanine
3-[2-[[Bis(2-chloroethyl)amino]methyl]-5-nitrophenyl]-2-aminopropionic acid
(S)-2-Amino-3-(2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)propanoic acid
Chemical & Physical Properties
[ Density]:
1.392g/cm3
[ Boiling Point ]:
475.2ºC at 760 mmHg
[ Molecular Formula ]:
C14H19Cl2N3O4
[ Molecular Weight ]:
364.22400
[ Flash Point ]:
241.2ºC
[ Exact Mass ]:
363.07500
[ PSA ]:
112.38000
[ LogP ]:
3.05230
[ Index of Refraction ]:
1.595
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SQ7329600
- CHEMICAL NAME :
- Phenylalanine, 2-((bis(2-chloroethyl)amino)methyl)-5-nitro-
- CAS REGISTRY NUMBER :
- 54940-95-3
- LAST UPDATED :
- 198305
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C14-H19-Cl2-N3-O4
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15100 ug/kg
- TOXIC EFFECTS :
- Tumorigenic - active as anti-cancer agent
- REFERENCE :
- CYLPDN Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1980- Volume(issue)/page/year: 2,121,1981