(2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine hydrochloride

• ChemBase编号: 310331
• 分子式: C6H11BrClN
• 平均质量: 212.51524
• 单一同位素质量: 210.97633904
• SMILES: C(=C)(Br)CNCC=C.Cl
• Canonical SMILES: C=CCNCC(=C)Br.Cl
• InChI: InChI=1S/C6H10BrN.ClH/c1-3-4-8-5-6(2)7;/h3,8H,1-2,4-5H2;1H
• InChIKey: QUXKLGMJUXKZHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine hydrochloride
• IUPAC传统名: (2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine hydrochloride
• 别名: N-allyl-2-bromo-2-propen-1-amine hydrochloride

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.5040064
• LogD (pH = 7.4): 1.1877358
• Log P: 1.6710923
• 摩尔折射率: 40.553 cm^3
• 极化性: 15.495656 Å^3
• 极化表面积: 12.03 Å^2