(1-methylpiperidin-3-yl)methanamine

• ChemBase编号: 50898
• 分子式: C7H16N2
• 平均质量: 128.21534
• 单一同位素质量: 128.13134852
• SMILES: N1(CC(CN)CCC1)C
• Canonical SMILES: NCC1CCCN(C1)C
• InChI: InChI=1S/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
• InChIKey: KEDTYNCWGSIWBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methylpiperidin-3-yl)methanamine
• IUPAC传统名: (1-methylpiperidin-3-yl)methanamine
• 别名: (1-methylpiperid-3-yl)methylamine; (1-methylpiperidin-3-yl)methanamine; C-(1-Methyl-piperidin-3-yl)-methylamine; (1-Methylpiperidin-3-yl)methylamine; 3-(Aminomethyl)-1-methylpiperidine; 1-(1-methylpiperidin-3-yl)methanamine

登记号

• CAS号: 14613-37-7
• MDL号: MFCD06738902
• PubChem SID: 162055661
• PubChem CID: 13675353

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -6.142563
• LogD (pH = 7.4): -4.049159
• Log P: -0.09649526
• 摩尔折射率: 40.0891 cm^3
• 极化性: 15.965017 Å^3
• 极化表面积: 29.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.013

安全信息

• 保存注意事项: Corrosive/Toxic; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 97%