{2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride

• ChemBase编号: 244408
• 分子式: C10H25Cl2N5
• 平均质量: 286.245
• 单一同位素质量: 285.14870119
• SMILES: [N+](=[N-])=NCCN(CC(C)C)CCN(C)C.Cl.Cl
• Canonical SMILES: [N-]=[N+]=NCCN(CC(C)C)CCN(C)C.Cl.Cl
• InChI: InChI=1S/C10H23N5.2ClH/c1-10(2)9-15(6-5-12-13-11)8-7-14(3)4;;/h10H,5-9H2,1-4H3;2*1H
• InChIKey: ALBOIFXQPDZCGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride
• IUPAC传统名: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride
• 别名: {2-[(2-azidoethyl)(2-methylpropyl)amino]ethyl}dimethylamine dihydrochloride

登记号

• MDL号: MFCD22628522
• PubChem SID: 164300318
• PubChem CID: 71757496

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.2263942
• LogD (pH = 7.4): -0.73373437
• Log P: 1.5833596
• 摩尔折射率: 64.3362 cm^3
• 极化性: 24.456257 Å^3
• 极化表面积: 35.91 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 3.288

产品相关信息

• 纯度: 95%