2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile

2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile 基本信息
CAS号 91349-97-2 分子式 C11H12N2
分子量 172.22600 精确质量  172.10000
PSA  27.03000 LogP  1.50618

基本信息 展开↓

CAS号:
91349-97-2
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分子式:
C11H12N2
分子量:
172.22600
中文名称:
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
英文名称:
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
中文别名:
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
英文别名:
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile;
2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile;
2-Cyanomethyl-1,2,3,4-tetrahydroisoquinoline;
1,2,3,4-Tetrahydro-2-isoquinolineacetonitrile;
1,2,3,4-Tetrahydro-2-leucolineacetonitrile;
N-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline;
[1,2,3,4-tetrahydroisoquinoline]-2-acetonitrile;
(3,4-Dihydro-1H-isoquinolin-2-yl)acetonitrile;
(1,2,3,4-Tetrahydro-isochinolinyl)-acetonitril;
2-ISOQUINOLINEACETONITRILE,1,2,3,4-TETRAHYDRO
精确分子量/精确质量:
172.10000
极性分子表面积/PSA:
27.03000
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。
InChI:
The Key: GPKIELSFWJGBHA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.088g/cm3
沸点:
303.5ºC at 760 mmHg
闪点:
130.6ºC
折射率:
1.56

合成路线查看所有的合成路线

  • 91-21-4

    1,2,3,4-四氢异喹啉

  • +

  • 107-14-2

    氯乙腈

  • ~70%

  • 91349-97-2

    2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile

  • 91-21-4

    1,2,3,4-四氢异喹啉

  • 91349-97-2

    2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile

  • 91-21-4

    1,2,3,4-四氢异喹啉

  • +

  • 590-17-0

    溴乙腈

  • 91349-97-2

    2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW6845000
CHEMICAL NAME :
2-Isoquinolineacetonitrile, 1,2,3,4-tetrahydro-
CAS REGISTRY NUMBER :
91349-97-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2
MOLECULAR WEIGHT :
172.25
WISWESSER LINE NOTATION :
T66 CNT&J C1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08280

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