methyl[(2H7)naphthalen-1-ylmethyl]amine

• ChemBase编号: 174982
• 分子式: C12H13N
• 平均质量: 171.23832
• 单一同位素质量: 171.10479942
• SMILES: c12c(cccc1CNC)cccc2
• 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[(^2H₇)naphthalen-1-ylmethyl]amine
• IUPAC传统名: methyl[(^2H₇)naphthalen-1-ylmethyl]amine
• 别名: N-Methyl-N-[(naphthalen-1-yl)methyl]amine-d7; N-Methyl-1-naphthylmethylamine-d7; N-(Naphthalen-1-yl-methyl)-N-methylamine-d7; Methyl(naphthalen-1-ylmethyl)amine-d7; Methyl(1-naphthylmethyl)amine-d7; NSC 129392-d7; N-(1-Naphthyl-d7-methyl)methylamine

登记号

• CAS号: 1189686-07-4
• PubChem SID: 164230892
• PubChem CID: 45039996

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: 23.27695 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; DMF; Methanol
• 外观: Brown Oil