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ethyl 4-carbamimidoylbenzoate

Names

[ CAS No. ]:
5418-97-3

[ Name ]:
ethyl 4-carbamimidoylbenzoate

[Synonym ]:
4-allyloxyacetoacetate
ethyl 4-allyloxy-3-oxobutanoate
4-amidino-benzoic acid ethyl ester hydrochloride
ethyl 4-amidinobenzoate.HCl
ethyl 4-allyloxy-6,8-dimethoxynaphthalene-2-carboxylate
Ethyl 4-allyloxyacetoacetate
4-carbamimidoyl-benzoic acid ethyl ester,hydrochloride
4-allyloxy-6,8-dimethoxynaphthalene-2-carboxylic acid ethyl ester
4-Carbamimidoyl-benzoesaeure-aethylester,Hydrochlorid
Butanoic acid,3-oxo-4-(2-propenyloxy)-,ethyl ester
ethyl 4-amidinobenzoate hydrochloride
4-carbethoxy-benzamidin-hydrochlorid
ethyl 4-allyloxy-3-oxobutyrate
ethyl 4-[amino(imino)methyl]benzoate hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
310.8ºC at 760 mmHg

[ Molecular Formula ]:
C10H13ClN2O2

[ Molecular Weight ]:
228.67500

[ Flash Point ]:
141.7ºC

[ Exact Mass ]:
228.06700

[ PSA ]:
76.17000

[ LogP ]:
2.74940

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG1120000
CHEMICAL NAME :
Benzoic acid, p-amidino-, ethyl ester, monohydrochloride
CAS REGISTRY NUMBER :
5418-97-3
LAST UPDATED :
199606
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H12-N2-O2.Cl-H
MOLECULAR WEIGHT :
228.70

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,243,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
297 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 :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>65 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Gastrointestinal - nausea or vomiting
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,243,1946
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
238 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 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1360 mg/kg/8D-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting
REFERENCE :
85GLAQ "A Survey of Antimalarial Drugs, 1941-1945," Wiselogle, F.Y., 2 vols., Ann Arbor, MI, J.W. Edwards, 1946 Volume(issue)/page/year: 1,243,1946

Synthetic Route

Precursor & DownStream


Related Compounds