ethyl 4-carbamimidoylbenzoate

Modify Date: 2025-09-12 19:04:40

ethyl 4-carbamimidoylbenzoate Structure
ethyl 4-carbamimidoylbenzoate structure
 Common Name ethyl 4-carbamimidoylbenzoate
CAS Number 5418-97-3 Molecular Weight 228.67500
Density N/A Boiling Point 310.8ºC at 760 mmHg
Molecular Formula C10H13ClN2O2 Melting Point N/A
MSDS N/A Flash Point 141.7ºC

 Names

Name ethyl 4-carbamimidoylbenzoate,hydrochloride
Synonym More Synonyms

 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
InChIKey YQLMHXJICJZZFV-UHFFFAOYSA-N
SMILES CCOC(=O)c1ccc(C(=N)N)cc1.Cl

 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

4-Cyanobenzoic acid structure

4-Cyanobenzoic acid

CAS#:619-65-8

~%

ethyl 4-carbamimidoylbenzoate Structure

ethyl 4-carbami...

CAS#:5418-97-3

Literature: Scherf, Klaus-Dieter; Kresse, Horst Zeitschrift fuer Chemie (Stuttgart, Germany), 1990 , vol. 30, # 12 p. 441 - 442
Ethyl 4-cyanobenzoate structure

Ethyl 4-cyanobe...

CAS#:7153-22-2

~%

ethyl 4-carbamimidoylbenzoate Structure

ethyl 4-carbami...

CAS#:5418-97-3

Literature: Medwid, Jeffrey B.; Paul, Rolf; Baker, Jannie S.; Brockman, John A.; Du, Mila T.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 4 p. 1230 - 1241
4-carbethoxyimidobenzoesaeureethylester-hydrochloride structure

4-carbethoxyimi...

CAS#:66631-28-5

~%

ethyl 4-carbamimidoylbenzoate Structure

ethyl 4-carbami...

CAS#:5418-97-3

Literature: Scherf, Klaus-Dieter; Kresse, Horst Zeitschrift fuer Chemie (Stuttgart, Germany), 1990 , vol. 30, # 12 p. 441 - 442

 Synonyms

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
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Chemsrc provides ethyl 4-carbamimidoylbenzoate(CAS#:5418-97-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of ethyl 4-carbamimidoylbenzoate are included as well.>> amp version: ethyl 4-carbamimidoylbenzoate

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