2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one 基本信息
CAS号 76536-69-1 分子式 C50H60N6O7
分子量 857.04700 精确质量  856.45200
PSA  122.41000 LogP  9.06930

基本信息 展开↓

CAS号:
76536-69-1
3D弹球模型:
立即前往扯扯看
分子式:
C50H60N6O7
分子量:
857.04700
中文名称:
2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
英文名称:
2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
中文别名:
2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
英文别名:
2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;
4H-Pyrimido[6,1-a]isoquinolin-4-one,2-[ethyl(2,4,6-trimethylphenyl)amino]-6,7-dihydro-9,10-dimethoxy-
精确分子量/精确质量:
856.45200
极性分子表面积/PSA:
122.41000
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: SXYJSLIWXBRHJT-UHFFFAOYSA-N

物化性质展开↓

密度:
1.19g/cm3
沸点:
588.5ºC at 760 mmHg
折射率:
1.603

合成路线查看所有的合成路线

  • 75-03-6

    碘乙烷

  • +

  • 76536-66-8

    9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido(6,1-a)isoquinolin-4-one

  • ~48%

  • 76536-69-1

    2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

  • +

  • 80023-91-2

    3-ethyl-9,10-dimethoxy-2-(2,4,6-trimethyl-phenylimino)-2,3,6,7-tetrahydro-pyrimido[6,1-a]isoquinolin-4-one

  • 68619-18-1

    9,10-Dimethoxy-3,4,6,7-tetrahydro-2H-pyrimido(6,1-a)isoquinolin-2,4-dione

  • 76536-69-1

    2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

  • 75535-95-4

    4-nitrophenyl decanoyl-L-phenylalaninate

  • 76536-69-1

    2-(N-ethyl-2,4,6-trimethylanilino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7720000
CAS REGISTRY NUMBER :
76536-69-1
LAST UPDATED :
198803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H29-N3-O3.1/2H2-O
MOLECULAR WEIGHT :
428.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 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: 27,1470,1984

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    9,10-dimethoxy-2-(2,4,6-trimethylanilino)-6,7-dihydro-4H-pyrimido(6,1-a)isoquinolin-4-one

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