1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester

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Names

[ CAS No. ]:
13991-74-7

[ Name ]:
1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester

[Synonym ]:
ethyl 1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}cyclohexanecarboxylate
Cyclohexanecarboxylic acid,1-(3-(2-chloroethyl)-3-nitrosoureido)-,ethyl ester
1-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexanecarboxylic acid ethyl ester
1-({[(2-chloroethyl)nitrosoamino]carbonyl}amino)-cyclohexanecarboxylic acid,ethyl ester

Chemical & Physical Properties

[ Density]:
1.33g/cm3

[ Molecular Formula ]:
C12H20ClN3O4

[ Molecular Weight ]:
305.75800

[ Exact Mass ]:
305.11400

[ PSA ]:
88.07000

[ LogP ]:
2.57510

[ Index of Refraction ]:
1.559

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU8419900
CHEMICAL NAME :
Cyclohexanecarboxylic acid, 1-(3-(2-chloroethyl)-3-nitrosoureido)-, ethyl ester
CAS REGISTRY NUMBER :
13991-74-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H20-Cl-N3-O4
MOLECULAR WEIGHT :
305.80
WISWESSER LINE NOTATION :
L6TJ AVO2 AMVNNO&2G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,1095,1980

Safety Information

[ HS Code ]:
2924299090

Precursor & DownStream

Precursor

  • Cyclohexanecarboxylicacid, 1-amino-, ethyl ester

DownStream

Customs

[ HS Code ]: 2924299090

[ Summary ]:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • [1-(cyclopentylmethyl)-1H-1,2,3-triazol-4-yl]methanol
  • [1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol
  • 2-Methyl-5-[1-methyl-1-(4-amino-phenyl)-ethyl]-[1,3,4]oxadiazole
  • 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
  • 2-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
  • 2-Methyl-2-(3-methyl-4-nitro-phenyl)-propionitrile
  • 1-(4-chloro-2-methylphenyl)-4-(chloromethyl)-1H-1,2,3-triazole
  • 1-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1H-1,2,3-triazole
  • 1-(5-chloro-2-methylphenyl)-4-(chloromethyl)-1H-1,2,3-triazole
  • 2-(4-Chloro-3-fluorophenyl)-2-hydroxyacetic acid
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