ethyl(2-phenoxyethyl)amine hydrochloride

• ChemBase编号: 143801
• 分子式: C10H16ClNO
• 平均质量: 201.69314
• 单一同位素质量: 201.09204182
• SMILES: CCNCCOc1ccccc1.Cl
• Canonical SMILES: CCNCCOc1ccccc1.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-2-11-8-9-12-10-6-4-3-5-7-10;/h3-7,11H,2,8-9H2,1H3;1H
• InChIKey: IOAQYZYOAVZREO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl(2-phenoxyethyl)amine hydrochloride
• IUPAC传统名: ethyl(2-phenoxyethyl)amine hydrochloride
• 别名: N-Ethyl-2-phenoxyethanamine hydrochloride

登记号

• MDL号: MFCD08582845
• PubChem SID: 162238018
• PubChem CID: 17139069

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.3773971
• LogD (pH = 7.4): -0.3549472
• Log P: 1.8079791
• 摩尔折射率: 49.9942 cm^3
• 极化性: 19.91768 Å^3
• 极化表面积: 21.26 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): C10H16ClNO

详细说明

Sigma Aldrich - CBR00951

Other Notes
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