2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol 基本信息
CAS号 26685-58-5 分子式 C28H43NO2
分子量 425.64700 精确质量 　425.32900
PSA 　32.70000 LogP 　7.08040
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
26685-58-5
3D弹球模型：
立即前往扯扯看
分子式：
C28H43NO2
分子量：
425.64700
中文名称：
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
英文名称：
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
中文别名：
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
英文别名：
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol;
2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2h-chromeno[4,3-c]pyridin-10-ol;
2-cyclobutylmethyl-8-(1,2-dimethyl-heptyl)-5,5-dimethyl-1,3,4,5-tetrahydro-2H-chromeno[4,3-c]pyridin-10-ol;
5H-(1)Benzopyrano(4,3-c)pyridine,1,2,3,4-tetrahydro-2-(cyclobutylmethyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy
精确分子量/精确质量：
425.32900
极性分子表面积/PSA：
32.70000
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: PTPPLPQQZXLCHG-UHFFFAOYSA-N

物化性质展开↓

密度：
1.07g/cm3
沸点：
545.9ºC at 760mmHg
闪点：
283.9ºC
折射率：
1.565
蒸汽压：
1.58E-12mmHg at 25°C

合成路线查看所有的合成路线

  • 17247-58-4

    溴甲基环丁烷

  • +

  • 26685-53-0

    5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

  • →

  • 26685-58-5

    2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

  • 26685-47-2

    26685-47-2

  • →

  • 26685-58-5

    2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3120000
CHEMICAL NAME :
5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(cyclobutylmethyl)-5,5-dimethyl- 8- (1,2-dimethylheptyl)-10-hydroxy-
CAS REGISTRY NUMBER :
26685-58-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H43-N-O2
MOLECULAR WEIGHT :
425.72
WISWESSER LINE NOTATION :
T B666 DN IO HHT&&J H1 H1 LY1&Y5&1 NQ D1- AL4TJ

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 :
25 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Behavioral - irritability
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: 19,445,1976

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  • 26685-47-2

    2-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine

  • 17247-58-4

    溴甲基环丁烷

  • 26685-53-0

    5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol

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