Nitrocaphane

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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

Related Compounds

  • 2,2-Dimethyloct-4-enoic acid
  • n-Imidazo[1,2-d][1,2,4]thiadiazol-3-yl-n-(6-{[(2-nitrophenyl)sulfonyl]amino}hexyl)glycine
  • 1,5-Dimethyl (4S)-4-(2-aminoethyl)-N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
  • Carbamic acid, [3-bromo-5-(1-methylethyl)phenyl]-, 1,1-dimethylethyl ester
  • 4-Benzyloxolan-3-ol
  • 3-Benzoyl-6-methyl-2H-chromen-2-one
  • 6-Chloro-1-methyl-9h-pyrido[3,4-b]indole
  • 8-Chloro-1-methyl-9h-pyrido[3,4-b]indole
  • (2E)-Piperamide-C5:1
  • L-Tyrosyl-L-tyrosyl-L-proline
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