benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate

Names

[ CAS No. ]:
78718-52-2

[ Name ]:
benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate

[Synonym ]:
Benexato [Spanish]
Benexato
Benexatum [Latin]
benzyl 2-{[(4-{[(diaminomethylidene)amino]methyl}cyclohexyl)carbonyl]oxy}benzoate
Benzyl 2-((trans-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate
Benexate
Benexate (INN)
Benzoic acid,2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)carbonyl)oxy)-,phenylmethyl ester,trans

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Boiling Point ]:
582.7ºC at 760 mmHg

[ Molecular Formula ]:
C23H27N3O4

[ Molecular Weight ]:
409.47800

[ Flash Point ]:
306.2ºC

[ Exact Mass ]:
409.20000

[ PSA ]:
114.50000

[ LogP ]:
4.42940

[ Index of Refraction ]:
1.612

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG2800660
CHEMICAL NAME :
Benzoic acid, 2-(((4-(((aminoiminomethyl)amino)methyl)cyclohexyl)ca rbonyl)oxy)-, phenylmethyl ester, trans-
CAS REGISTRY NUMBER :
78718-52-2
LAST UPDATED :
199303
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H27-N3-O4
MOLECULAR WEIGHT :
409.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8010 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-90017
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #91-90017

Safety Information

[ HS Code ]:
2925290090

Customs

[ HS Code ]: 2925290090

[ Summary ]:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • I+/--D-Mannopyranoside, methyl 6-O-(triphenylmethyl)-, 3-(4-methylbenzenesulfonate)
  • Urs-12-en-28-oic acid, 3-[(4-O-I(2)-D-glucopyranosyl-I(2)-D-xylopyranosyl)oxy]-, (3I(2))-
  • tert-butyl N-{2-[4-(hydroxymethyl)piperidin-4-yl]ethyl}carbamate
  • N1-[2-Ethoxy-2-(4-fluorophenyl)ethyl]-N1,N2-dimethyl-N2-phenyl-1,2-ethanediamine
  • 6-Acetamidoquinoxaline-5-carboxylic acid
  • 4-(1,1-Difluoro-2-{[(prop-2-en-1-yloxy)carbonyl]amino}ethoxy)benzoic acid
  • 1-{[(Pyrrolidin-3-yl)methyl]sulfanyl}ethan-1-one
  • 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-N-[(2-propen-1-yloxy)carbonyl]-D-alanine
  • 4-Pyridinecarboxylic acid, 2-chloro-6-[3-(trifluoromethoxy)phenyl]-, ethyl ester
  • 1,1-Bis(3-fluoro-4a(2)-propyl[1,1a(2)-biphenyl]-4-yl)-N,N-bis(1-methylethyl)boranamine
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