4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine

• ChemBase编号: 230463
• 分子式: C17H19Cl2N3O
• 平均质量: 352.25826
• 单一同位素质量: 351.0905176
• SMILES: C\1(=C\c2c(cc(cc2)Cl)Cl)/C(=C(CC1)/C=N/N)N1CCOCC1
• Canonical SMILES: N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(cc2Cl)Cl)/CC1
• InChI: InChI=1S/C17H19Cl2N3O/c18-15-4-3-12(16(19)10-15)9-13-1-2-14(11-21-20)17(13)22-5-7-23-8-6-22/h3-4,9-11H,1-2,5-8,20H2/b13-9+,21-11+
• InChIKey: NDOOCJACSVVAFT-WKOSEXDDSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine
• IUPAC传统名: 4-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-2-methanehydrazonoylcyclopent-1-en-1-yl]morpholine
• 别名: [3-(2,4-Dichloro-benzylidene)-2-morpholin-4-yl-cyclopent-1-enylmethylene]-hydrazine

登记号

• MDL号: MFCD06660652
• PubChem SID: 164286373
• PubChem CID: 9635405

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.1818109
• LogD (pH = 7.4): 2.8711205
• Log P: 2.893247
• 摩尔折射率: 98.1344 cm^3
• 极化性: 36.447456 Å^3
• 极化表面积: 50.85 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95%