methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine

• ChemBase编号: 91226
• 分子式: C11H17N3
• 平均质量: 191.27278
• 单一同位素质量: 191.14224756
• SMILES: N1(c2ncccc2CNC)CCCC1
• Canonical SMILES: CNCc1cccnc1N1CCCC1
• InChI: InChI=1S/C11H17N3/c1-12-9-10-5-4-6-13-11(10)14-7-2-3-8-14/h4-6,12H,2-3,7-9H2,1H3
• InChIKey: FZYYBTAASUJTRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine
• IUPAC传统名: methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine
• 别名: N-Methyl-N-[(2-pyrrolidin-1-ylpyridin-3-yl)methyl]amine; 3-[(Methylamino)methyl]-2-(pyrrolidin-1-yl)pyridine 97%; N-methyl-N-[(2-pyrrolidin-1-ylpyridin-3-yl)methyl]amine

登记号

• CAS号: 857284-17-4
• MDL号: MFCD07772854
• PubChem SID: 162077930
• PubChem CID: 7164637

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.653585
• LogD (pH = 7.4): -0.13772191
• Log P: 1.4222211
• 摩尔折射率: 59.4322 cm^3
• 极化性: 22.41954 Å^3
• 极化表面积: 28.16 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive/Harmful/Store under Argon

产品相关信息

• 纯度: 97%