3-(4-methylphenyl)propan-1-amine

• ChemBase编号: 144006
• 分子式: C10H15N
• 平均质量: 149.2328
• 单一同位素质量: 149.12044949
• SMILES: Cc1ccc(cc1)CCCN
• Canonical SMILES: NCCCc1ccc(cc1)C
• InChI: InChI=1S/C10H15N/c1-9-4-6-10(7-5-9)3-2-8-11/h4-7H,2-3,8,11H2,1H3
• InChIKey: NUWCDHQYCLUEDS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(4-methylphenyl)propan-1-amine
• IUPAC传统名: tolpropamine
• 别名: 3-(4-Methylphenyl)propan-1-amine; 3-(4-methylphenyl)propan-1-amine

登记号

• CAS号: 54930-39-1
• MDL号: MFCD07374075
• PubChem SID: 162238223
• PubChem CID: 12564270

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.674324
• LogD (pH = 7.4): -0.15186687
• Log P: 2.3456655
• 摩尔折射率: 48.9286 cm^3
• 极化性: 19.129812 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C10H15N

详细说明

Sigma Aldrich - CBR00043

Other Notes
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