5,6,7,8-tetrahydronaphthalen-2-ylmethanamine

• ChemBase编号: 308667
• 分子式: C11H15N
• 平均质量: 161.2435
• 单一同位素质量: 161.12044949
• SMILES: c12c(ccc(c1)CN)CCCC2
• Canonical SMILES: NCc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C11H15N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8,12H2
• InChIKey: SGCPAUPWLDLCBN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,6,7,8-tetrahydronaphthalen-2-ylmethanamine
• IUPAC传统名: 5,6,7,8-tetrahydronaphthalen-2-ylmethanamine
• 别名: (5,6,7,8-tetrahydro-2-naphthalenylmethyl)amine

登记号

• CAS号: 15402-69-4
• MDL号: MFCD08061539

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.44371703
• LogD (pH = 7.4): 0.43414778
• Log P: 2.5512683
• 摩尔折射率: 52.0136 cm^3
• 极化性: 20.225407 Å^3
• 极化表面积: 26.02 Å^2