ethyl 4-carbamimidoylbenzoate,hydrochloride

ethyl 4-carbamimidoylbenzoate,hydrochloride 基本信息
CAS号 5418-97-3 分子式 C10H13ClN2O2
分子量 228.67500 精确质量  228.06700
PSA  76.17000 LogP  2.74940

基本信息 展开↓

CAS号:
5418-97-3
3D弹球模型:
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分子式:
C10H13ClN2O2
分子量:
228.67500
英文名称:
ethyl 4-carbamimidoylbenzoate,hydrochloride
英文别名:
ethyl 4-carbamimidoylbenzoate,hydrochloride;
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
精确分子量/精确质量:
228.06700
极性分子表面积/PSA:
76.17000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: YQLMHXJICJZZFV-UHFFFAOYSA-N

物化性质展开↓

沸点:
310.8ºC at 760 mmHg
闪点:
141.7ºC

合成路线查看所有的合成路线

  • 66631-28-5

    4-carbethoxyimidobenzoesaeureethylester-hydrochloride

  • 5418-97-3

    ethyl 4-carbamimidoylbenzoate,hydrochloride

  • 7153-22-2

    4-氰基苯甲酸乙酯

  • 5418-97-3

    ethyl 4-carbamimidoylbenzoate,hydrochloride

  • 619-65-8

    对氰基苯甲酸

  • 5418-97-3

    ethyl 4-carbamimidoylbenzoate,hydrochloride

毒理性展开↓

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

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