N-[2-(dimethylamino)ethyl]-N-methylpiperidin-4-amine trihydrochloride

• ChemBase编号: 24014
• 分子式: C10H26Cl3N3
• 平均质量: 294.69254
• 单一同位素质量: 293.11923089
• SMILES: C1(N(CCN(C)C)C)CCNCC1.Cl.Cl.Cl
• Canonical SMILES: CN(C1CCNCC1)CCN(C)C.Cl.Cl.Cl
• InChI: InChI=1S/C10H23N3.3ClH/c1-12(2)8-9-13(3)10-4-6-11-7-5-10;;;/h10-11H,4-9H2,1-3H3;3*1H
• InChIKey: XOPAEEIXXVZJAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(dimethylamino)ethyl]-N-methylpiperidin-4-amine trihydrochloride
• IUPAC传统名: N-[2-(dimethylamino)ethyl]-N-methylpiperidin-4-amine trihydrochloride
• 别名: N,N,N′-Trimethyl-N′-piperidin-4-ylethane-1,2-diamine trihydrochloride; N,N,N'-Trimethyl-N'-piperidin-4-yl-ethane-1,2-diamine trihydrochloride

登记号

• MDL号: MFCD08689423
• PubChem SID: 160987321
• PubChem CID: 46735931

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -6.6316733
• LogD (pH = 7.4): -4.554184
• Log P: -0.14742783
• 摩尔折射率: 58.1636 cm^3
• 极化性: 23.024387 Å^3
• 极化表面积: 18.51 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C10H26Cl3N3

详细说明

Sigma Aldrich - CBR00605

Other Notes
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