2-anilino-5,5-diethyl-1H-pyrimidine-4,6-dione

2-anilino-5,5-diethyl-1H-pyrimidine-4,6-dione 基本信息
CAS号 66940-97-4 分子式 C14H17N3O2
分子量 259.30400 精确质量  259.13200
PSA  70.56000 LogP  1.75470

基本信息 展开↓

CAS号:
66940-97-4
3D弹球模型:
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分子式:
C14H17N3O2
分子量:
259.30400
英文名称:
2-anilino-5,5-diethyl-1H-pyrimidine-4,6-dione
英文别名:
2-anilino-5,5-diethyl-1H-pyrimidine-4,6-dione;
BARBITURIC ACID,5,5-DIETHYL-2-(PHENYLIMINO);
5,5-Diaethyl-2-anilino-1H-pyrimidin-4,6-dion;
4,6(1H,5H)-Pyrimidinedione,5,5-diethyl-2-(phenylamino);
5,5-diethyl-2-anilino-1H-pyrimidine-4,6-dione;
5,5-Diethyl-2-phenyliminobarbituric acid;
Acide diethyl-5,5-phenylimino-2-barbiturique [French]
精确分子量/精确质量:
259.13200
极性分子表面积/PSA:
70.56000
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: OWJHVTNAMJSHRF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.21g/cm3
折射率:
1.6

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3777000
CHEMICAL NAME :
Barbituric acid, 5,5-diethyl-2-(phenylimino)-
CAS REGISTRY NUMBER :
66940-97-4
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H17-N3-O2
MOLECULAR WEIGHT :
259.34
WISWESSER LINE NOTATION :
T6VMYMV FHJ CUNR& F2 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
RCBIAS Revue Canadienne de Biologie. (Montreal, Quebec, Canada) V.1-40, 1942-81. Volume(issue)/page/year: 1,454,1942
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/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: 20,332,1986

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