1-(thiophen-2-yl)butan-1-amine hydrochloride

• ChemBase编号: 143819
• 分子式: C8H14ClNS
• 平均质量: 191.72146
• 单一同位素质量: 191.05354813
• SMILES: CCCC(c1cccs1)N.Cl
• Canonical SMILES: CCCC(c1cccs1)N.Cl
• InChI: InChI=1S/C8H13NS.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H
• InChIKey: DNYQWFOHMZFXMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(thiophen-2-yl)butan-1-amine hydrochloride
• IUPAC传统名: 1-(thiophen-2-yl)butan-1-amine hydrochloride
• 别名: 1-(2-Thienyl)-1-butanamine hydrochloride

登记号

• MDL号: MFCD18071233
• PubChem SID: 162238036
• PubChem CID: 50944213

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.55767584
• LogD (pH = 7.4): 0.5879548
• Log P: 2.3955617
• 摩尔折射率: 44.9651 cm^3
• 极化性: 17.869755 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): C8H14ClNS

详细说明

Sigma Aldrich - CBR00906

Other Notes
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