(2,2,3,3,5,5,6,6-2H8)piperazine dihydrochloride

• ChemBase编号: 146889
• 分子式: C4H12Cl2N2
• 平均质量: 159.05748
• 单一同位素质量: 158.03775375
• SMILES: C1CNCCN1.Cl.Cl
• Canonical SMILES: N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C4H10N2.2ClH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H
• InChIKey: CVVIJWRCGSYCMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,2,3,3,5,5,6,6-^2H₈)piperazine dihydrochloride
• IUPAC传统名: (2,2,3,3,5,5,6,6-^2H₈)piperazine dihydrochloride
• 别名: 哌嗪-2,2,3,3,5,5,6,6-d8 二盐酸盐; Piperazine-2,2,3,3,5,5,6,6-d8 dihydrochloride

登记号

• MDL号: MFCD01073979
• PubChem SID: 24868384; 162241081
• PubChem CID: 49849345

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: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >300 °C(lit.)
• 质量偏移: M+8

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 63-36/38-42/43-52/53-62
• 安全公开号: 22-36/37-45-61-63
• GHS危险品标识: GHS08
• GHS警示词: Danger
• GHS危险声明: H315-H317-H319-H334-H361fd-H412
• GHS警示性声明: P261-P273-P280-P305 + P351 + P338-P342 + P311

产品相关信息

• 纯度: 98% (CP)
• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 166.95 by atom % calculation
• Empirical Formula (Hill Notation): C4D8H2N2·2HCl

详细说明

Sigma Aldrich - 448125

包装
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.