[2-(4-methylpiperazin-1-yl)phenyl]methanamine

• ChemBase编号: 49104
• 分子式: C12H19N3
• 平均质量: 205.29936
• 单一同位素质量: 205.15789762
• SMILES: N1(c2c(CN)cccc2)CCN(CC1)C
• Canonical SMILES: NCc1ccccc1N1CCN(CC1)C
• InChI: InChI=1S/C12H19N3/c1-14-6-8-15(9-7-14)12-5-3-2-4-11(12)10-13/h2-5H,6-10,13H2,1H3
• InChIKey: GRSJANZWLLXZFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(4-methylpiperazin-1-yl)phenyl]methanamine
• IUPAC传统名: [2-(4-methylpiperazin-1-yl)phenyl]methanamine
• 别名: [2-(4-Methyl-1-piperazinyl)phenyl]methanamine; 2-(4-Methylpiperazin-1-yl)benzylamine; 1-[2-(Aminomethyl)]phenyl]-4-methylpiperazine; [2-(4-Methylpiperazin-1-yl)phenyl]methylamine 97%; [2-(4-methylpiperazin-1-yl)phenyl]methanamine

登记号

• CAS号: 655256-68-1
• MDL号: MFCD04970994
• PubChem SID: 162053867
• PubChem CID: 2795568

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.123255
• LogD (pH = 7.4): -1.1382093
• Log P: 1.0541776
• 摩尔折射率: 65.0101 cm^3
• 极化性: 24.866642 Å^3
• 极化表面积: 32.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.111

安全信息

• 保存注意事项: Corrosive/Harmful/Store under Argon; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%