4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide

• ChemBase编号: 121769
• 分子式: C19H24BrNO
• 平均质量: 362.30396
• 单一同位素质量: 361.10412639
• SMILES: C1(c2c(NC(C1)(C)C)cccc2)(c1ccc(cc1)OC)C.Br
• Canonical SMILES: COc1ccc(cc1)C1(C)CC(C)(C)Nc2c1cccc2.Br
• InChI: InChI=1S/C19H23NO.BrH/c1-18(2)13-19(3,14-9-11-15(21-4)12-10-14)16-7-5-6-8-17(16)20-18;/h5-12,20H,13H2,1-4H3;1H
• InChIKey: OFHVYVGSYCWQII-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide
• IUPAC传统名: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,3-dihydroquinoline hydrobromide
• 别名: 4-(4-methoxyphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline hydrobromide

登记号

• PubChem SID: 162216122
• PubChem CID: 51051853

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.1592126
• LogD (pH = 7.4): 4.1904187
• Log P: 4.1908317
• 摩尔折射率: 99.2957 cm^3
• 极化性: 33.862015 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HBr