1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione

• ChemBase编号: 74022
• 分子式: C8H14N2O4
• 平均质量: 202.20776
• 单一同位素质量: 202.09535694
• SMILES: N1(O)C(=O)C(N(C(=O)C1(C)C)O)(C)C
• Canonical SMILES: ON1C(=O)C(C)(C)N(C(=O)C1(C)C)O
• InChI: InChI=1S/C8H14N2O4/c1-7(2)5(11)10(14)8(3,4)6(12)9(7)13/h13-14H,1-4H3
• InChIKey: CKULDOGZGMGAMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione
• IUPAC传统名: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione
• 别名: 1,4-dihydroxy-3,3,6,6-tetramethylpiperazine-2,5-dione; 1,4-Dihydroxy-3,3,6,6-tetramethylpiperazine-2 5-dione

登记号

• CAS号: 88571-75-9
• MDL号: MFCD00829410
• PubChem SID: 162038941
• PubChem CID: 727025

理论计算性质

• Acid pKa: 7.3022203
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.22065414
• LogD (pH = 7.4): -0.614385
• Log P: -0.21386968
• 摩尔折射率: 47.5506 cm^3
• 极化性: 18.563797 Å^3
• 极化表面积: 81.08 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%