2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine

• ChemBase编号: 25116
• 分子式: C8H18N2O
• 平均质量: 158.24132
• 单一同位素质量: 158.14191321
• SMILES: N1(CC(OC(C1)C)C)CCN
• Canonical SMILES: NCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C8H18N2O/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6,9H2,1-2H3
• InChIKey: GLOJLKCUVTZRFO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine
• IUPAC传统名: 2-(2,6-dimethylmorpholin-4-yl)ethanamine
• 别名: 2-(2,6-Dimethylmorpholin-4-yl)ethanamine; 2-(2,6-Dimethylmorpholin-4-yl)ethanamine

登记号

• CAS号: 244789-18-2
• MDL号: MFCD08444750
• PubChem SID: 160988423
• PubChem CID: 2756423

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.4235647
• LogD (pH = 7.4): -1.9533708
• Log P: 0.007835255
• 摩尔折射率: 45.85 cm^3
• 极化性: 18.481222 Å^3
• 极化表面积: 38.49 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.627

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C8H18N2O

详细说明

Sigma Aldrich - CBR00131

Other Notes
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