(1-methylpiperidin-4-yl)methanamine

• ChemBase编号: 68915
• 分子式: C7H16N2
• 平均质量: 128.21534
• 单一同位素质量: 128.13134852
• SMILES: N1(CCC(CC1)CN)C
• Canonical SMILES: NCC1CCN(CC1)C
• InChI: InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3
• InChIKey: AGTPSAZJSOQXHJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methylpiperidin-4-yl)methanamine
• IUPAC传统名: (1-methylpiperidin-4-yl)methanamine
• 别名: (1-methylpiperidin-4-yl)methanamine; (1-Methyl piperidin-4-yl)methyl amine; (1-methyl-4-piperidinyl)methanamine; 1-Methyl-piperidin-4-methylamine; (1-Methylpiperidin-4-yl)methylamine; 4-(Aminomethyl)-1-methylpiperidine; 1-(1-methylpiperidin-4-yl)methanamine

登记号

• CAS号: 7149-42-0
• MDL号: MFCD11035762; MFCD05022430
• PubChem SID: 162034645
• PubChem CID: 81574

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -6.5555763
• LogD (pH = 7.4): -4.8843756
• Log P: -0.13805199
• 摩尔折射率: 40.1879 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/Harmful; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 97%; 98%