methyl[(quinolin-6-yl)methyl]amine

• ChemBase编号: 57212
• 分子式: C11H12N2
• 平均质量: 172.22638
• 单一同位素质量: 172.10004839
• SMILES: c1(ccc2c(c1)cccn2)CNC
• Canonical SMILES: CNCc1ccc2c(c1)cccn2
• InChI: InChI=1S/C11H12N2/c1-12-8-9-4-5-11-10(7-9)3-2-6-13-11/h2-7,12H,8H2,1H3
• InChIKey: IIPNTNDPIZNFRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl[(quinolin-6-yl)methyl]amine; methyl(quinolin-6-ylmethyl)amine
• IUPAC传统名: methyl(quinolin-6-ylmethyl)amine
• 别名: N-methyl-N-(quinolin-6-ylmethyl)amine; N-Methyl-1-quinolin-6-ylmethanamine; N-methyl-1-(quinolin-6-yl)methanamine; N-Methyl-N-(quinolin-6-ylmethyl)amine 95%; N-Methyl-1-quinolin-6-ylmethanamine

登记号

• CAS号: 179873-36-0
• MDL号: MFCD06738897
• PubChem SID: 162061975
• PubChem CID: 6483903

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.5247315
• LogD (pH = 7.4): -0.5633504
• Log P: 1.6892493
• 摩尔折射率: 53.2273 cm^3
• 极化性: 22.271576 Å^3
• 极化表面积: 24.92 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: Corrosive; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%; 98%
• Empirical Formula (Hill Notation): C11H12N2

详细说明

Sigma Aldrich - CBR00241

Other Notes
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