benzyl(2H3)methylamine

• ChemBase编号: 173365
• 分子式: C8H11N
• 平均质量: 121.17964
• 单一同位素质量: 121.08914936
• SMILES: c1cccc(c1)CNC
• Canonical SMILES: CNCc1ccccc1
• InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl(^2H₃)methylamine
• IUPAC传统名: benzyl(^2H₃)methylamine
• 别名: N-Methylbenzenemethanamine-d3; N-Methyl-N-(phenylmethyl)amine-d3; N-Methyl-N-benzylamine-d3; N-Benzylmethylamine-d3; N-Methyl-1-phenylmethanamine-d3; N-(Phenylmethyl)methylamine-d3; N-Benzyl-N-methylamine-d3; NSC 8059-d3; N-Methylbenzylamine-d3

登记号

• PubChem SID: 164229275
• PubChem CID: 56845859

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.6647688
• LogD (pH = 7.4): -0.72088844
• Log P: 1.5315946
• 摩尔折射率: 39.306 cm^3
• 极化性: 15.597321 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: Dichloromethane; Ethyl Acetate
• 外观: Light Yellow Liquid