[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine

• ChemBase编号: 144039
• 分子式: C8H13N3
• 平均质量: 151.20892
• 单一同位素质量: 151.11094743
• SMILES: c1cn(cn1)CC1(CC1)CN
• Canonical SMILES: NCC1(CC1)Cn1cncc1
• InChI: InChI=1S/C8H13N3/c9-5-8(1-2-8)6-11-4-3-10-7-11/h3-4,7H,1-2,5-6,9H2
• InChIKey: BMPMBBWPKSTTIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine
• IUPAC传统名: [1-(imidazol-1-ylmethyl)cyclopropyl]methanamine
• 别名: 1-[1-(1H-Imidazol-1-ylmethyl)cyclopropyl]methanamine; 1-[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methanamine

登记号

• CAS号: 877204-21-2
• MDL号: MFCD09031541
• PubChem SID: 162238256
• PubChem CID: 11701066

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.7017598
• LogD (pH = 7.4): -2.689006
• Log P: -0.15062296
• 摩尔折射率: 43.6818 cm^3
• 极化性: 17.064802 Å^3
• 极化表面积: 43.84 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): C8H13N3

详细说明

Sigma Aldrich - CBR00278

Other Notes
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