2-phenylmorpholine

• ChemBase编号: 118407
• 分子式: C10H13NO
• 平均质量: 163.21632
• 单一同位素质量: 163.09971404
• SMILES: N1CC(OCC1)c1ccccc1
• Canonical SMILES: N1CCOC(C1)c1ccccc1
• InChI: InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
• InChIKey: ZLNGFYDJXZZFJP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-phenylmorpholine
• IUPAC传统名: 2-phenylmorpholine
• 别名: 2-phenylmorpholine; 2-phenylmorpholine hydrochloride; 2-Phenylmorpholine

登记号

• CAS号: 23972-41-0
• MDL号: MFCD03869024; MFCD01713554
• PubChem SID: 162090166
• PubChem CID: 91101

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.1635758
• LogD (pH = 7.4): 0.56966066
• Log P: 1.3728613
• 摩尔折射率: 48.0507 cm^3
• 极化性: 19.189884 Å^3
• 极化表面积: 21.26 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 分配系数: 1.374
• 疏水性(logP): 1.15

产品相关信息

• 纯度: 95%; 95+%; 98%
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C10H13NO

详细说明

Sigma Aldrich - CBR00091

Other Notes
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