(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

• ChemBase编号: 30937
• 分子式: C11H16N2
• 平均质量: 176.25814
• 单一同位素质量: 176.13134852
• SMILES: c12N(CCCc1cc(cc2)CN)C
• Canonical SMILES: NCc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
• InChIKey: YWWOJPNCKNCDOR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
• IUPAC传统名: (1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
• 别名: 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine; (1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine; C-(1-Methyl-1,2,3,4-tetrahydro-quinolin-6-yl)-methylamine

登记号

• CAS号: 797807-54-6
• MDL号: MFCD05864543
• PubChem SID: 160994244
• PubChem CID: 1112172

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.3657074
• LogD (pH = 7.4): -0.50028783
• Log P: 1.6915153
• 摩尔折射率: 56.8706 cm^3
• 极化性: 21.41898 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): 1.923

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%