2-Hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone

2-Hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone 基本信息
CAS号 27463-04-3 分子式 C11H11NO2
分子量 189.21100 精确质量  189.07900
PSA  53.09000 LogP  1.65130

基本信息 展开↓

CAS号:
27463-04-3
3D弹球模型:
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分子式:
C11H11NO2
分子量:
189.21100
英文名称:
2-Hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone
英文别名:
2-Hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone;
Indole,3-(hydroxyacetyl)-2-methyl;
3-(2-Hydroxyacetyl)-2-methylindole;
2-hydroxy-1-(2-methyl-indol-3-yl)-ethanone;
2-Methyl-3-hydroxyacetyl-indol;
KETONE,HYDROXYMETHYL 2-METHYL-3-INDOLYL;
2-Hydroxy-1-(2-methyl-indol-3-yl)-aethanon
精确分子量/精确质量:
189.07900
极性分子表面积/PSA:
53.09000
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: AOIQXGZLVRZENQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.285g/cm3
沸点:
400.1ºC at 760mmHg
闪点:
195.8ºC
折射率:
1.669
蒸汽压:
4.05E-07mmHg at 25°C

合成路线查看所有的合成路线

  • 38693-08-2

    2-氯-1-(2-甲基-1H-吲哚-3-基)-乙酮

  • 27463-04-3

    2-Hydroxy-1-(2-methyl-1H-indol-3-yl)ethanone

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OB4356600
CHEMICAL NAME :
Ketone, hydroxymethyl 2-methyl-3-indolyl
CAS REGISTRY NUMBER :
27463-04-3
BEILSTEIN REFERENCE NO. :
0142720
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H11-N-O2
MOLECULAR WEIGHT :
189.23
WISWESSER LINE NOTATION :
T56 BMJ C1 DV1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - anticonvulsant Behavioral - changes in motor activity (specific assay)
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: 6,33,1972

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