4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride

• ChemBase编号: 143975
• 分子式: C10H24Cl2N2O2
• 平均质量: 275.21576
• 单一同位素质量: 274.12148338
• SMILES: C1CC(CNC1)CN1CCOCC1.O.Cl.Cl
• Canonical SMILES: C1CCC(CN1)CN1CCOCC1.O.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH.H2O/c1-2-10(8-11-3-1)9-12-4-6-13-7-5-12;;;/h10-11H,1-9H2;2*1H;1H2
• InChIKey: GCPVRXVHOMGYNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride
• IUPAC传统名: 4-(piperidin-3-ylmethyl)morpholine hydrate dihydrochloride
• 别名: 4-(Piperidin-3-ylmethyl)morpholine dihydrochloride hydrate

登记号

• MDL号: MFCD11841245
• PubChem SID: 162238192
• PubChem CID: 45595287

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.2335443
• LogD (pH = 7.4): -2.7644305
• Log P: 0.11758468
• 摩尔折射率: 53.9382 cm^3
• 极化性: 21.43625 Å^3
• 极化表面积: 24.5 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H24Cl2N2O2

详细说明

Sigma Aldrich - CBR00614

Other Notes
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