Benzoic acid,4-[(aminoiminomethyl)amino]-, ethyl ester, hydrochloride (1:1)

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Names

[ CAS No. ]:
24503-25-1

[ Name ]:
Benzoic acid,4-[(aminoiminomethyl)amino]-, ethyl ester, hydrochloride (1:1)

[Synonym ]:
ethyl p-guanidinobenzoate hydrochloride
4-guanidino-benzoic acid ethyl ester,hydrochloride
4-Guanidino-benzoic acid phenyl ester
Phenyl-4-guanidinobenzoat
4-Guanidinobenzoesaeurephenylester
4-Guanidino-benzoesaeure-aethylester,Hydrochlorid
Phenyl 4-guanidinobenzoate

Chemical & Physical Properties

[ Boiling Point ]:
389.9ºC at 760mmHg

[ Molecular Formula ]:
C10H14ClN3O2

[ Molecular Weight ]:
243.69000

[ Flash Point ]:
189.6ºC

[ Exact Mass ]:
243.07700

[ PSA ]:
88.20000

[ LogP ]:
2.84370

[ Vapour Pressure ]:
2.77E-06mmHg at 25°C

[ Index of Refraction ]:
1.576

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH1421770
CHEMICAL NAME :
Benzoic acid, p-guanidino-, ethyl ester, monohydrochloride
CAS REGISTRY NUMBER :
24503-25-1
LAST UPDATED :
198611
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H13-N3-O2.Cl-H
MOLECULAR WEIGHT :
243.72

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
506 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 57,81,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
317 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 57,81,1936

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Cyanamide
  • Benzocaine

DownStream

Related Compounds

  • 3-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine-2-carbothioamide
  • 3-(phenylthio)-2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
  • ethyl 2-(3-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridin-2-yl)thiazole-4-carboxylate
  • 3-(1H-imidazol-1-yl)-2-(1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyridine
  • 1-methyl-5-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
  • 3-(6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)-5-(trifluoromethyl)picolinonitrile
  • 2-(Ethylthio)-6-nitro-4-(trifluoromethyl)benzamide
  • 2-Amino-6-(ethylthio)-4-(trifluoromethyl)benzamide
  • 2,2-difluoro-N-methoxy-N-methyl-2-phenoxyacetamide
  • 2,2-Difluoro-1-(4-fluorophenyl)-2-phenoxyethan-1-one
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