质量水平
检测方案
99%
折射率
n20/D 1.45 (lit.)
bp
164-166 °C/13 mmHg (lit.)
密度
0.949 g/mL at 25 °C (lit.)
SMILES字符串
CCCCCCCC1CCC(=O)O1
InChI
1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
InChI key
PHXATPHONSXBIL-UHFFFAOYSA-N
基因信息
human ... CYP1A2(1544)
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危险声明
预防措施声明
危险分类
Aquatic Chronic 3
WGK
WGK 1
闪点(°F)
293.0 °F
闪点(°C)
145 °C
个人防护装备
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the
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