[1-(propan-2-yl)cyclopropyl]methanamine hydrochloride

• ChemBase编号: 143740
• 分子式: C7H16ClN
• 平均质量: 149.66164
• 单一同位素质量: 149.0971272
• SMILES: CC(C)C1(CC1)CN.Cl
• Canonical SMILES: NCC1(CC1)C(C)C.Cl
• InChI: InChI=1S/C7H15N.ClH/c1-6(2)7(5-8)3-4-7;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: GXOFVJYTKKLLKV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(propan-2-yl)cyclopropyl]methanamine hydrochloride
• IUPAC传统名: (1-isopropylcyclopropyl)methanamine hydrochloride
• 别名: 1-(1-Isopropylcyclopropyl)methanamine hydrochloride; [1-(propan-2-yl)cyclopropyl]methanamine hydrochloride

登记号

• MDL号: MFCD18071221
• PubChem SID: 162237957
• PubChem CID: 53398887

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.750042
• LogD (pH = 7.4): -1.1229038
• Log P: 1.264707
• 摩尔折射率: 35.4085 cm^3
• 极化性: 14.445701 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 236 - 238°C
• 疏水性(logP): 1.756

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C7H16ClN

详细说明

Sigma Aldrich - CBR00873

Other Notes
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