2-(morpholin-4-yl)propanehydrazide dihydrochloride

• ChemBase编号: 143899
• 分子式: C7H17Cl2N3O2
• 平均质量: 246.13478
• 单一同位素质量: 245.06978216
• SMILES: CC(C(=O)NN)N1CCOCC1.Cl.Cl
• Canonical SMILES: NNC(=O)C(N1CCOCC1)C.Cl.Cl
• InChI: InChI=1S/C7H15N3O2.2ClH/c1-6(7(11)9-8)10-2-4-12-5-3-10;;/h6H,2-5,8H2,1H3,(H,9,11);2*1H
• InChIKey: RJPAHZIMQDRFIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-4-yl)propanehydrazide dihydrochloride
• IUPAC传统名: 2-(morpholin-4-yl)propanehydrazide dihydrochloride
• 别名: 2-Morpholin-4-ylpropanohydrazide dihydrochloride

登记号

• MDL号: MFCD18071200
• PubChem SID: 162238116
• PubChem CID: 53398807

理论计算性质

• Acid pKa: 12.75876
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -1.7290651
• LogD (pH = 7.4): -1.103263
• Log P: -1.0850017
• 摩尔折射率: 45.9474 cm^3
• 极化性: 17.78367 Å^3
• 极化表面积: 67.59 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): C7H17Cl2N3O2

详细说明

Sigma Aldrich - CBR00660

Other Notes
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