(3-methylpyridin-2-yl)methanamine

• ChemBase编号: 50375
• 分子式: C7H10N2
• 平均质量: 122.1677
• 单一同位素质量: 122.08439833
• SMILES: n1c(c(C)ccc1)CN
• Canonical SMILES: NCc1ncccc1C
• InChI: InChI=1S/C7H10N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,5,8H2,1H3
• InChIKey: QNLAYSBIWHHNIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-methylpyridin-2-yl)methanamine
• IUPAC传统名: (3-methylpyridin-2-yl)methanamine
• 别名: (3-Methyl-2-pyridinyl)methanamine; (3-methylpyridin-2-yl)methanamine; 2-AMINOMETHYL-3-METHYLPYRIDINE; (3-Methylpyridin-2-yl)methylamine; 2-(Aminomethyl)-3-picoline; 2-(Aminomethyl)-3-methylpyridine

登记号

• CAS号: 153936-26-6
• MDL号: MFCD04116209
• PubChem SID: 162055138
• PubChem CID: 1514370

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.258144
• LogD (pH = 7.4): -0.6843928
• Log P: 0.4762351
• 摩尔折射率: 36.8935 cm^3
• 极化性: 14.571929 Å^3
• 极化表面积: 38.91 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

• 疏水性(logP): 0.046

安全信息

• 保存注意事项: Corrosive/Harmful/Store under Argon; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 95+%; 98%