bis(4-[1-(pyrrolidin-1-yl)ethyl]piperidine) hydrate tetrahydrochloride

• ChemBase编号: 144396
• 分子式: C22H50Cl4N4O
• 平均质量: 528.4706
• 单一同位素质量: 526.27387296
• SMILES: CC(C1CCNCC1)N1CCCC1.CC(C1CCNCC1)N1CCCC1.O.Cl.Cl.Cl.Cl
• Canonical SMILES: CC(N1CCCC1)C1CCNCC1.CC(N1CCCC1)C1CCNCC1.O.Cl.Cl.Cl.Cl
• InChI: InChI=1S/2C11H22N2.4ClH.H2O/c2*1-10(13-8-2-3-9-13)11-4-6-12-7-5-11;;;;;/h2*10-12H,2-9H2,1H3;4*1H;1H2
• InChIKey: YSQFLCACXOUDKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(4-[1-(pyrrolidin-1-yl)ethyl]piperidine) hydrate tetrahydrochloride
• IUPAC传统名: bis(4-[1-(pyrrolidin-1-yl)ethyl]piperidine) hydrate tetrahydrochloride
• 别名: 4-(1-Pyrrolidin-1-ylethyl)piperidine dihydrochloride hemihydrate

登记号

• MDL号: MFCD18428080
• PubChem SID: 162238611
• PubChem CID: 53398924

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -5.610094
• LogD (pH = 7.4): -4.8493247
• Log P: 1.1169009
• 摩尔折射率: 56.9223 cm^3
• 极化性: 22.610828 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C22H50Cl4N4O

详细说明

Sigma Aldrich - CBR00977

Other Notes
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