(2,2,3,3,5,5,6,6-2H8)piperazine; trifluoroacetic acid

• ChemBase编号: 176759
• 分子式: C6H11F3N2O2
• 平均质量: 200.1589496
• 单一同位素质量: 200.07726226
• SMILES: C(=O)(O)C(F)(F)F.C1NCCNC1
• Canonical SMILES: N1CCNCC1.OC(=O)C(F)(F)F
• InChI: InChI=1S/C4H10N2.C2HF3O2/c1-2-6-4-3-5-1;3-2(4,5)1(6)7/h5-6H,1-4H2;(H,6,7)
• InChIKey: MZMOYVCDPQCUOP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2,3,3,5,5,6,6-^2H₈)piperazine; trifluoroacetic acid
• IUPAC传统名: (2,2,3,3,5,5,6,6-^2H₈)piperazine; trifluoroacetic acid
• 别名: Piperazine-2,2,3,3,5,5,6,6-d8 Trifluoroacetic Acid Salt; Ascarex D-d8 Trifluoroacetic Acid Salt; Diethylenediamine-d8 Trifluoroacetic Acid Salt; Dihydro Pip Wormer-d8 Trifluoroacetic Acid Salt; Dowzene DHC-d8 Trifluoroacetic Acid Salt; Piperazinium-d8 Trifluoroacetic Acid Salt; Piperazine-d8 Trifluoroacetic Acid Salt

登记号

• PubChem SID: 164232669
• PubChem CID: 71751684

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• 摩尔折射率: 25.4488 cm^3
• 极化性: 10.427217 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: >250°C (dec.)

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - P480103

Labelled Piperazine. Anthelmintic (Nematodes).

参考文献

• Drudge, J.H., et al.: Am. J. Vet. Res., 35, 67 (1974)
• Nanivadekar, et al.: J. Postgrad. Med., 30, 144 (1974)