2-(4-甲基-1H-咪唑-5-基)乙胺双盐酸盐

2-(4-甲基-1H-咪唑-5-基)乙胺双盐酸盐 基本信息
CAS号 36376-47-3 分子式 C6H13Cl2N3
分子量 198.09400 精确质量  197.04900
PSA  54.70000 LogP  2.52360

基本信息 展开↓

CAS号:
36376-47-3
3D弹球模型:
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分子式:
C6H13Cl2N3
分子量:
198.09400
中文名称:
2-(4-甲基-1H-咪唑-5-基)乙胺双盐酸盐
英文名称:
2-(5-methyl-1H-imidazol-4-yl)ethanamine,dihydrochloride
中文别名:
2-(4-甲基-1H-咪唑-5-基)乙胺双盐酸盐;
2-(4-甲基-1H-咪唑基-5-基)乙胺二盐酸盐;
2-(5-甲基-4-咪唑基)乙胺二盐酸盐
英文别名:
2-(5-methyl-1H-imidazol-4-yl)ethanamine,dihydrochloride;
2-<5-methyl-1H-imidazol-4-yl>ethanamine dihydrochloride;
5-metilistamina diclorinato;
5-Methylhistamine dihydrochloride;
5-Methyl-1H-imidazole-4-ethanamine dihydrochloride;
2-methylhistamine dihydrochloride;
5-metilistamina dicloridrato;
4-Methylhistamine dihydrochloride
精确分子量/精确质量:
197.04900
极性分子表面积/PSA:
54.70000
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: IRQCBSLSHHBBIT-UHFFFAOYSA-N

物化性质展开↓

密度:
1.1g/cm3
熔点:
231-233℃ (ethanol )
沸点:
345ºC at 760 mmHg
闪点:
189.3ºC
折射率:
1.558

安全信息展开↓

海关代码:
2933290090

合成路线查看所有的合成路线

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    2-[5-methyl-1-(phenylmethyl)-1H-imidazol-4-yl]ethanone oxime

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    2-(4-甲基-1H-咪唑-5-基)乙胺双盐酸盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI3505800
CHEMICAL NAME :
Imidazole, 4-(2-aminoethyl)-5-methyl-, dihydrochloride
CAS REGISTRY NUMBER :
36376-47-3
LAST UPDATED :
199206
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H11-N3.2Cl-H
MOLECULAR WEIGHT :
198.12
WISWESSER LINE NOTATION :
T5M CNJ D2Z E1 &GH 2

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 :
991 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - pleural effusion
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: 77,54,1943
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
198 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
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: 77,54,1943

海关数据查看详细

中国海关编码:2933290090

概述:
2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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