4-(pyridin-3-yloxy)aniline

• ChemBase编号: 17154
• 分子式: C11H10N2O
• 平均质量: 186.2099
• 单一同位素质量: 186.07931295
• SMILES: c1(Oc2cccnc2)ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
• InChIKey: ZSLIXJKSPVCNHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(pyridin-3-yloxy)aniline
• IUPAC传统名: 4-(pyridin-3-yloxy)aniline
• 别名: 4-(Pyridin-3-yloxy)aniline; 4-(Pyridin-3-yloxy)aniline; 4-(Pyridin-3-yloxy)-phenylamine; 4-(3-pyridinyloxy)phenylamine

登记号

• CAS号: 80650-45-9
• MDL号: MFCD07186369
• PubChem SID: 160980461
• PubChem CID: 3159631

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3606343
• LogD (pH = 7.4): 1.4260414
• Log P: 1.4269346
• 摩尔折射率: 54.8423 cm^3
• 极化性: 20.900103 Å^3
• 极化表面积: 48.14 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95+%; 98%
• Empirical Formula (Hill Notation): C11H10N2O

详细说明

Sigma Aldrich - CBR00249

Other Notes
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