(phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine

• ChemBase编号: 106946
• 分子式: C16H16N2
• 平均质量: 236.31164
• 单一同位素质量: 236.13134852
• SMILES: C(C/N=C/c1ccccc1)/N=C/c1ccccc1
• Canonical SMILES: N(=C\c1ccccc1)/CC/N=C/c1ccccc1
• InChI: InChI=1S/C16H16N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
• InChIKey: QBAKBJNOARBSGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine; (E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
• IUPAC传统名: (phenylmethylidene)({2-[(phenylmethylidene)amino]ethyl})amine; (E)-(phenylmethylidene)({2-[(E)-(phenylmethylidene)amino]ethyl})amine
• 别名: DIBENZYLIDENE ETHYLENEDIAMINE; N1,N2-Dibenzylideneethane-1,2-diamine

登记号

• CAS号: 104-71-2
• MDL号: MFCD00022040
• PubChem SID: 162090115
• PubChem CID: 66033

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.8913174
• LogD (pH = 7.4): 3.5260558
• Log P: 3.6726465
• 摩尔折射率: 77.2226 cm^3
• 极化性: 28.79081 Å^3
• 极化表面积: 24.72 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%

详细说明

MP Biomedicals - 05201987

MP Biomedicals Rare Chemical collection