({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine

• ChemBase编号: 74635
• 分子式: C17H17N3O
• 平均质量: 279.33638
• 单一同位素质量: 279.13716218
• SMILES: N(=C(\N)/OC/C=C/c1ccccc1)\N=C\c1ccccc1
• Canonical SMILES: N/C(=N\N=C\c1ccccc1)/OC/C=C/c1ccccc1
• InChI: InChI=1S/C17H17N3O/c18-17(20-19-14-16-10-5-2-6-11-16)21-13-7-12-15-8-3-1-4-9-15/h1-12,14H,13H2,(H2,18,20)
• InChIKey: PMNLGKLHMQHPAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine
• IUPAC传统名: ({amino[(3-phenylprop-2-en-1-yl)oxy]methylidene}amino)(phenylmethylidene)amine
• 别名: 2,3-diaza-4-phenyl-1-(3-phenylprop-2-enyloxy)buta-1,3-dienylamine

登记号

• MDL号: MFCD00246061
• PubChem SID: 162039554
• PubChem CID: 9580396

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.7014604
• LogD (pH = 7.4): 3.701995
• Log P: 3.7020018
• 摩尔折射率: 86.5679 cm^3
• 极化性: 32.252758 Å^3
• 极化表面积: 59.97 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true