[2-(3-methoxyphenoxy)ethyl](methyl)amine

• ChemBase编号: 143783
• 分子式: C10H15NO2
• 平均质量: 181.2316
• 单一同位素质量: 181.11027873
• SMILES: CNCCOc1cccc(c1)OC
• Canonical SMILES: CNCCOc1cccc(c1)OC
• InChI: InChI=1S/C10H15NO2/c1-11-6-7-13-10-5-3-4-9(8-10)12-2/h3-5,8,11H,6-7H2,1-2H3
• InChIKey: LEEHBTUHIYEAQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-(3-methoxyphenoxy)ethyl](methyl)amine
• IUPAC传统名: [2-(3-methoxyphenoxy)ethyl](methyl)amine
• 别名: 2-(3-Methoxyphenoxy)-N-methylethanamine; 2-(3-methoxyphenoxy)-N-methylethanamine

登记号

• CAS号: 120998-52-9
• MDL号: MFCD08691920
• PubChem SID: 162238000
• PubChem CID: 17904230

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -1.8789519
• LogD (pH = 7.4): -0.7814039
• Log P: 1.2934998
• 摩尔折射率: 51.7088 cm^3
• 极化性: 20.572193 Å^3
• 极化表面积: 30.49 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H15NO2

详细说明

Sigma Aldrich - CBR00274

Other Notes
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