{1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine

• ChemBase编号: 143988
• 分子式: C10H21N3
• 平均质量: 183.29384
• 单一同位素质量: 183.17354769
• SMILES: CN1CCN(CC1)CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)CN1CCN(CC1)C
• InChI: InChI=1S/C10H21N3/c1-12-4-6-13(7-5-12)9-10(8-11)2-3-10/h2-9,11H2,1H3
• InChIKey: FORGGLWHUSAYED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine
• IUPAC传统名: {1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methanamine
• 别名: ((1-[(4-Methyl-1-piperazinyl)methyl]cyclopropyl)methyl)amine; ({1-[(4-methyl-1-piperazinyl)methyl]cyclopropyl}methyl)amine

登记号

• CAS号: 1015846-52-2
• MDL号: MFCD09971261
• PubChem SID: 162238205
• PubChem CID: 45791164

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -5.7140474
• LogD (pH = 7.4): -3.304308
• Log P: -0.19178578
• 摩尔折射率: 55.8105 cm^3
• 极化性: 22.286194 Å^3
• 极化表面积: 32.5 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): C10H21N3

详细说明

Sigma Aldrich - CBR00307

Other Notes
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