吡啶,2-(4-甲基-2-羟基-1,2,3-氧杂噻唑烷-3-基)-, (4R)- (9CI)

吡啶,2-(4-甲基-2-羟基-1,2,3-氧杂噻唑烷-3-基)-, (4R)- (9CI) 基本信息
CAS号 142744-14-7 分子式 C16H19FN4O5S
分子量 398.40900 精确质量  398.10600
PSA  145.35000 LogP  4.76140

基本信息 展开↓

CAS号:
142744-14-7
3D弹球模型:
立即前往扯扯看
分子式:
C16H19FN4O5S
分子量:
398.40900
中文名称:
吡啶,2-(4-甲基-2-羟基-1,2,3-氧杂噻唑烷-3-基)-, (4R)- (9CI)
英文名称:
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline
中文别名:
吡啶,2-(4-甲基-2-羟基-1,2,3-氧杂噻唑烷-3-基)-, (4R)- (9CI)
英文别名:
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline;
2-Furanmethanamine,5-[[[2-[(5-fluoro-2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl-
精确分子量/精确质量:
398.10600
极性分子表面积/PSA:
145.35000
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: LAFTTYMJFZRMQP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.403g/cm3
沸点:
541.3ºC at 760mmHg
闪点:
281.2ºC
折射率:
1.629
蒸汽压:
8.77E-12mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU1725000
CHEMICAL NAME :
2-Furanmethanamine, N,N-dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino) ethyl)thio)methyl)-
CAS REGISTRY NUMBER :
142744-14-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H19-F-N4-O5-S
MOLECULAR WEIGHT :
398.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 35,3141,1992

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