[1-(methoxymethyl)cyclopropyl]methanamine hydrochloride

• ChemBase编号: 144328
• 分子式: C6H14ClNO
• 平均质量: 151.63446
• 单一同位素质量: 151.07639175
• SMILES: COCC1(CC1)CN.Cl
• Canonical SMILES: NCC1(CC1)COC.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-5-6(4-7)2-3-6;/h2-5,7H2,1H3;1H
• InChIKey: OBLZUFIAJHPUBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(methoxymethyl)cyclopropyl]methanamine hydrochloride
• IUPAC传统名: [1-(methoxymethyl)cyclopropyl]methanamine hydrochloride
• 别名: 1-[1-(Methoxymethyl)cyclopropyl]methanamine monohydrochloride

登记号

• MDL号: MFCD09864489
• PubChem SID: 162238543
• PubChem CID: 53398976

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.116581
• LogD (pH = 7.4): -2.4445384
• Log P: -0.104525395
• 摩尔折射率: 32.7848 cm^3
• 极化性: 13.269628 Å^3
• 极化表面积: 35.25 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): C6H14ClNO

详细说明

Sigma Aldrich - CBR01061

Other Notes
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