1-(methoxymethyl)-N-methylcyclopropan-1-amine hydrochloride

• ChemBase编号: 143992
• 分子式: C6H14ClNO
• 平均质量: 151.63446
• 单一同位素质量: 151.07639175
• SMILES: CNC1(CC1)COC.Cl
• Canonical SMILES: COCC1(NC)CC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-7-6(3-4-6)5-8-2;/h7H,3-5H2,1-2H3;1H
• InChIKey: SPQJLYHXTMFJIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(methoxymethyl)-N-methylcyclopropan-1-amine hydrochloride
• IUPAC传统名: 1-(methoxymethyl)-N-methylcyclopropan-1-amine hydrochloride
• 别名: 1-(Methoxymethyl)-N-methylcyclopropanamine hydrochloride; 1-(methoxymethyl)-N-methylcyclopropan-1-amine hydrochloride

登记号

• MDL号: MFCD18071229
• PubChem SID: 162238209
• PubChem CID: 53398897

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.016415
• LogD (pH = 7.4): -1.8860229
• Log P: 0.14947927
• 摩尔折射率: 32.8377 cm^3
• 极化性: 13.269628 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.116

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C6H14ClNO

详细说明

Sigma Aldrich - CBR00893

Other Notes
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