2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride

• ChemBase编号: 266670
• 分子式: C11H23Cl2N3O
• 平均质量: 284.22582
• 单一同位素质量: 283.12181773
• SMILES: N1(C2CC(CC1CC2)CNC(=O)CN)C.Cl.Cl
• Canonical SMILES: NCC(=O)NCC1CC2CCC(C1)N2C.Cl.Cl
• InChI: InChI=1S/C11H21N3O.2ClH/c1-14-9-2-3-10(14)5-8(4-9)7-13-11(15)6-12;;/h8-10H,2-7,12H2,1H3,(H,13,15);2*1H
• InChIKey: UOGJXNNWJIGTJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride
• IUPAC传统名: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride
• 别名: 2-amino-N-({8-methyl-8-azabicyclo[3.2.1]octan-3-yl}methyl)acetamide dihydrochloride

登记号

• MDL号: MFCD19442666
• PubChem SID: 164322580
• PubChem CID: 47002780

理论计算性质

• Acid pKa: 15.945374
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -6.6473594
• LogD (pH = 7.4): -3.8896847
• Log P: -0.71800363
• 摩尔折射率: 59.8728 cm^3
• 极化性: 23.793373 Å^3
• 极化表面积: 58.36 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

• 熔点: 255 - 257°C
• 疏水性(logP): -0.614

产品相关信息

• 纯度: 95%