2-methoxy-1-(pyridin-2-yl)ethan-1-amine hydrochloride

• ChemBase编号: 144375
• 分子式: C8H13ClN2O
• 平均质量: 188.65462
• 单一同位素质量: 188.07164073
• SMILES: COCC(c1ccccn1)N.Cl
• Canonical SMILES: COCC(c1ccccn1)N.Cl
• InChI: InChI=1S/C8H12N2O.ClH/c1-11-6-7(9)8-4-2-3-5-10-8;/h2-5,7H,6,9H2,1H3;1H
• InChIKey: LFQPQRBPIFHJHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-1-(pyridin-2-yl)ethan-1-amine hydrochloride
• IUPAC传统名: 2-methoxy-1-(pyridin-2-yl)ethanamine hydrochloride
• 别名: (2-Methoxy-1-pyridin-2-ylethyl)amine hydrochloride

登记号

• MDL号: MFCD18428102
• PubChem SID: 162238590
• PubChem CID: 53398961

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.3449152
• LogD (pH = 7.4): -0.65824795
• Log P: 0.12779449
• 摩尔折射率: 42.6411 cm^3
• 极化性: 17.167297 Å^3
• 极化表面积: 48.14 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C8H13ClN2O

详细说明

Sigma Aldrich - CBR01032

Analysis Note
may contain up to 2 eq HCl
Other Notes
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Legal Information
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