异美汀

异美汀 基本信息
CAS号 503-01-5 分子式 C9H19N
分子量 141.25400 精确质量  141.15200
PSA  12.03000 LogP  2.73160

基本信息 展开↓

CAS号:
503-01-5
3D弹球模型:
立即前往扯扯看
分子式:
C9H19N
分子量:
141.25400
中文名称:
异美汀
英文名称:
N,6-dimethylhept-5-en-2-amine
中文别名:
异美汀;
异美丁
英文别名:
N,6-dimethylhept-5-en-2-amine;
Octinum;
Methylisooctenylamine;
N,6-dimethyl-5-hepten-2-amine;
Octanil;
Methyloctenylamine;
Octon;
4-Hexenylamine,N,1,5-trimethyl;
Octin;
Isometheptene;
5-Hepten-2-amine,N,6-dimethyl;
Isonyl
精确分子量/精确质量:
141.15200
极性分子表面积/PSA:
12.03000
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。
EINECS:
207-959-6
InChI:
The Key: XVQUOJBERHHONY-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


由柠檬醛经水解、胺化、还原制得。1.水解将柠檬醛加入5%的氢氧化钠溶液中,加热回流3-4h。冷却,静置分层。取油层用无水硫酸钠干燥,过滤,滤液分馏,收集168-176℃馏分,得2-甲基庚烯-2-酮-6。收率约62%。2.胺化、还原将上述2-甲基庚烯-2-酮-6、一甲胺溶液加入乙醇中,在活化铝片存在下反应,生成异美丁,收率87%。

用途简介


该品为解痉药。

物化性质展开↓

外观与性状:
无色,油性液体
密度:
0.786g/cm3
沸点:
177.5ºC at 760mmHg
闪点:
46.3ºC
折射率:
1.438

安全信息展开↓

海关代码:
2921199090

合成路线查看所有的合成路线

  • 110-93-0

    甲基庚烯酮

  • 503-01-5

    异美汀

  • 50-00-0

    甲醛

  • +

  • 22462-79-9

    6-methylhept-5-en-2-amine

  • 503-01-5

    异美汀

  • 110-93-0

    甲基庚烯酮

  • +

  • 593-51-1

    盐酸甲胺

  • 503-01-5

    异美汀

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP9100000
CHEMICAL NAME :
4-Hexenylamine, N,1,5-trimethyl-
CAS REGISTRY NUMBER :
503-01-5
BEILSTEIN REFERENCE NO. :
1742093
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H19-N
MOLECULAR WEIGHT :
141.29
WISWESSER LINE NOTATION :
1Y1&U3Y1&M1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
134 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: 116,377,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 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: 116,377,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FDMU** "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935 Volume(issue)/page/year: -,-,1935
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
34 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 227,71,1955
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FDMU** "Zur Pharmakologie des Octins, Dissertation," Fiegenbaum, A., Pharmakologischen Institut der Westfalischen Wilhelms-Universitat, Munster, Fed. Rep. Ger., 1935 Volume(issue)/page/year: -,-,1935

海关数据查看详细

中国海关编码:2921199090

概述:
2921199090 其他无环单胺及其衍生物及其盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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