(9H-fluoren-9-yl)methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride

• ChemBase编号: 812032
• 分子式: C20H23ClN2O2
• 平均质量: 358.86182
• 单一同位素质量: 358.14480567
• SMILES: Cl.[C@@H]1(CNCCN1C(=O)OCC1c2ccccc2c2c1cccc2)C
• Canonical SMILES: C[C@H]1CNCCN1C(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C20H22N2O2.ClH/c1-14-12-21-10-11-22(14)20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;/h2-9,14,19,21H,10-13H2,1H3;1H/t14-;/m0./s1
• InChIKey: VVCUZMZSBHXCNI-UQKRIMTDSA-N

名称和登记号

名称

• IUPAC标准名: (9H-fluoren-9-yl)methyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
• IUPAC传统名: 9H-fluoren-9-ylmethyl (2S)-2-methylpiperazine-1-carboxylate hydrochloride
• 别名: (S)-1-FMOC-2-METHYL-PIPERAZINE HYDROCHLORIDE

理论计算性质

• Acid pKa: 17.404562
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.72475684
• LogD (pH = 7.4): 2.4535425
• Log P: 3.1028922
• 摩尔折射率: 94.0695 cm^3
• 极化性: 38.005672 Å^3
• 极化表面积: 41.57 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%