1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine hydrochloride

• ChemBase编号: 286010
• 分子式: C11H21ClN4
• 平均质量: 244.76424
• 单一同位素质量: 244.14547437
• SMILES: c1(n(ccn1)CC)CN1C(CNCC1)C.Cl
• Canonical SMILES: CCn1ccnc1CN1CCNCC1C.Cl
• InChI: InChI=1S/C11H20N4.ClH/c1-3-14-7-5-13-11(14)9-15-6-4-12-8-10(15)2;/h5,7,10,12H,3-4,6,8-9H2,1-2H3;1H
• InChIKey: LQWNHCAIOBWODY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine hydrochloride
• IUPAC传统名: 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine hydrochloride
• 别名: 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine hydrochloride

登记号

• MDL号: MFCD21602691
• PubChem SID: 180671541
• PubChem CID: 73994794

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.3542538
• LogD (pH = 7.4): -1.612562
• Log P: 0.3304697
• 摩尔折射率: 61.702 cm^3
• 极化性: 24.11745 Å^3
• 极化表面积: 33.09 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): 0.768

产品相关信息

• 纯度: 95%