[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](2-methylpropyl)amine dihydrochloride

• ChemBase编号: 34085
• 分子式: C13H24Cl2N2O
• 平均质量: 295.24846
• 单一同位素质量: 294.12656876
• SMILES: c1(cnc(c(c1OC)C)CNCC(C)C)C.Cl.Cl
• Canonical SMILES: COc1c(C)cnc(c1C)CNCC(C)C.Cl.Cl
• InChI: InChI=1S/C13H22N2O.2ClH/c1-9(2)6-14-8-12-11(4)13(16-5)10(3)7-15-12;;/h7,9,14H,6,8H2,1-5H3;2*1H
• InChIKey: GELJNVBMEYMYDE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](2-methylpropyl)amine dihydrochloride
• IUPAC传统名: [(4-methoxy-3,5-dimethylpyridin-2-yl)methyl](2-methylpropyl)amine dihydrochloride
• 别名: N-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-methylpropan-1-amine dihydrochloride

登记号

• MDL号: MFCD12026998
• PubChem SID: 160997392
• PubChem CID: 44120521

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.4495512
• LogD (pH = 7.4): 1.0856708
• Log P: 2.5088687
• 摩尔折射率: 66.9167 cm^3
• 极化性: 26.215752 Å^3
• 极化表面积: 34.15 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false