1-phenylbutan-1-amine hydrochloride

• ChemBase编号: 144064
• 分子式: C10H16ClN
• 平均质量: 185.69374
• 单一同位素质量: 185.0971272
• SMILES: CCCC(c1ccccc1)N.Cl
• Canonical SMILES: CCCC(c1ccccc1)N.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6,11H2,1H3;1H
• InChIKey: SRLJBKBDJRRHGL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-phenylbutan-1-amine hydrochloride
• IUPAC传统名: 1-phenylbutan-1-amine hydrochloride
• 别名: (1-Phenylbutyl)amine hydrochloride

登记号

• MDL号: MFCD11041010
• PubChem SID: 162238281
• PubChem CID: 45595804

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.5257722
• LogD (pH = 7.4): 0.19946115
• Log P: 2.4826803
• 摩尔折射率: 48.0752 cm^3
• 极化性: 19.290504 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

• Empirical Formula (Hill Notation): C10H16ClN

详细说明

Sigma Aldrich - CBR00785

Other Notes
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