N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase编号: 143844
• 分子式: C11H15N
• 平均质量: 161.2435
• 单一同位素质量: 161.12044949
• SMILES: CNC1CCCc2c1cccc2
• Canonical SMILES: CNC1CCCc2c1cccc2
• InChI: InChI=1S/C11H15N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11-12H,4,6,8H2,1H3
• InChIKey: JQEUPNKUYMHYPW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC传统名: N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• 别名: N-Methyl-1,2,3,4-tetrahydronaphthalen-1-amine; N-methyl-N-1,2,3,4-tetrahydronaphthalen-1-ylamine; N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

登记号

• CAS号: 10409-15-1
• MDL号: MFCD06373941
• PubChem SID: 162238061
• PubChem CID: 46475

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.69241476
• LogD (pH = 7.4): 0.09200444
• Log P: 2.5203876
• 摩尔折射率: 51.4878 cm^3
• 极化性: 20.307953 Å^3
• 极化表面积: 12.03 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

• 熔点: 73 - 75°C
• 疏水性(logP): 2.483

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C11H15N

详细说明

Sigma Aldrich - CBR00363

Other Notes
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