methyl[1-(pyridin-2-yl)propan-2-yl]amine

• ChemBase编号: 16961
• 分子式: C9H14N2
• 平均质量: 150.22086
• 单一同位素质量: 150.11569846
• SMILES: c1(CC(NC)C)ccccn1
• Canonical SMILES: CNC(Cc1ccccn1)C
• InChI: InChI=1S/C9H14N2/c1-8(10-2)7-9-5-3-4-6-11-9/h3-6,8,10H,7H2,1-2H3
• InChIKey: LRCYOGDMXYPZAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[1-(pyridin-2-yl)propan-2-yl]amine
• IUPAC传统名: methyl[1-(pyridin-2-yl)propan-2-yl]amine
• 别名: N-Methyl-1-pyridin-2-ylpropan-2-amine; Methyl-(1-methyl-2-pyridin-2-yl-ethyl)-amine; N-methyl-1-pyridin-2-ylpropan-2-amine

登记号

• CAS号: 55496-56-5
• MDL号: MFCD07643178
• PubChem SID: 160980268
• PubChem CID: 203877

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.170617
• LogD (pH = 7.4): -1.3435297
• Log P: 1.0489819
• 摩尔折射率: 45.7451 cm^3
• 极化性: 18.266808 Å^3
• 极化表面积: 24.92 Å^2
• 可自由旋转的化学键: 3
• 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

• Empirical Formula (Hill Notation): C9H14N2

详细说明

Sigma Aldrich - CBR00462

Other Notes
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