methyl({[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl})amine

• ChemBase编号: 89640
• 分子式: C14H23N3
• 平均质量: 233.35252
• 单一同位素质量: 233.18919775
• SMILES: N(Cc1c(cccc1)N1CCCN(CC1)C)C
• Canonical SMILES: CNCc1ccccc1N1CCCN(CC1)C
• InChI: InChI=1S/C14H23N3/c1-15-12-13-6-3-4-7-14(13)17-9-5-8-16(2)10-11-17/h3-4,6-7,15H,5,8-12H2,1-2H3
• InChIKey: OEVIJYRNRIFBSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl({[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl})amine
• IUPAC传统名: methyl({[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl})amine
• 别名: N-methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine; N-Methyl-2-(4-methylperhydro-1,4-diazepin-1-yl)benzylamine; N-Methyl-2-(4-methylhomopiperazin-1-yl)benzylamine 97%

登记号

• CAS号: 915707-57-2
• MDL号: MFCD09065003
• PubChem SID: 162076503
• PubChem CID: 24229620

理论计算性质

• 质子供体: 1
• LogD (pH = 5.5): -4.6916776
• LogD (pH = 7.4): -1.8408769
• Log P: 1.5467178
• 摩尔折射率: 74.6501 cm^3
• 极化性: 28.559542 Å^3
• 极化表面积: 18.51 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 3

分子性质

安全信息

• 保存注意事项: Corrosive

产品相关信息

• 纯度: 97%