methyl(naphthalen-1-ylmethyl)amine

• ChemBase编号: 10315
• 分子式: C12H13N
• 平均质量: 171.23832
• 单一同位素质量: 171.10479942
• SMILES: c1ccc2c(c1)c(ccc2)CNC
• Canonical SMILES: CNCc1cccc2c1cccc2
• InChI: InChI=1S/C12H13N/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
• InChIKey: MQRIUFVBEVFILS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(naphthalen-1-ylmethyl)amine
• IUPAC传统名: methyl(naphthalen-1-ylmethyl)amine
• 别名: N-Methyl-1-naphthalenemethanamine; [(Naphthalen-1-yl)methyl]methylamine; N-Methyl-N-[(naphthalen-1-yl)methyl]amine; N-Methyl-N-[(1-naphthyl)methyl]amine; 1-Methylaminomethylnaphthalene; NSC 129392; Methyl-1-naphthalenemethylamine; N-Methylnaphthalene-1-methylamine; N-Methyl-1-(naphthalen-1-yl)methanamine

登记号

• CAS号: 14489-75-9
• MDL号: MFCD00144934
• PubChem SID: 160973622
• PubChem CID: 84474

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -0.6959602
• LogD (pH = 7.4): 0.034333013
• Log P: 2.5210714
• 摩尔折射率: 55.7562 cm^3
• 极化性: 23.243214 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Dichloromethane; Methanol
• 外观: Yellow Oil
• 沸点: 104-105°C/0.05mm

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 98%