3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 基本信息
CAS号 53661-19-1 分子式 C10H11N3
分子量 173.21400 精确质量  173.09500
PSA  62.70000 LogP  1.99548

基本信息 展开↓

CAS号:
53661-19-1
3D弹球模型:
立即前往扯扯看
分子式:
C10H11N3
分子量:
173.21400
英文名称:
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
英文别名:
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;
3-Amino-4-cyano-5,6,7,8-tetrahydroisoquinoline;
3-Amino-4-cyano-5,6,7,8-tetrahydroisochinoline;
5,6,7,8-Tetrahydro-3-amino-4-isoquinolinecarbonitrile;
KBLVALNQDHHHHA-UHFFFAOYSA;
2-Amino-3-cyano-4,5-tetramethylenepyridine;
4-Isoquinolinecarbonitrile,5,6,7,8-tetrahydro-3-amino;
3-amino-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
精确分子量/精确质量:
173.09500
极性分子表面积/PSA:
62.70000
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: KBLVALNQDHHHHA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.21g/cm3
沸点:
358.9ºC at 760 mmHg
闪点:
170.9ºC
折射率:
1.606

安全信息展开↓

海关代码:
2933499090

合成路线查看所有的合成路线

  • 88745-29-3

    Propanedinitrile,(2-methylcyclohexylidene)

  • ~63%

  • 53661-19-1

    3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

  • 4354-73-8

    2-环己基亚己基丙二腈

  • 53661-19-1

    3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW6984300
CHEMICAL NAME :
4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-amino-
CAS REGISTRY NUMBER :
53661-19-1
BEILSTEIN REFERENCE NO. :
0394980
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-N3
MOLECULAR WEIGHT :
173.24

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 24,346,1990

海关数据查看详细

中国海关编码:2933499090

概述:
2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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上游产品

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  • 88745-29-3

    Propanedinitrile,(2-methylcyclohexylidene)

  • 4354-73-8

    2-环己基亚己基丙二腈

下游产品

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  • 69958-52-7

    3-氨基-5,6,7,8-四氢异喹啉

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