N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine

• ChemBase编号: 171580
• 分子式: C12H15N3
• 平均质量: 201.2676
• 单一同位素质量: 201.1265975
• SMILES: c1ccc2c(c1NC1=NCCN1)CCC2
• Canonical SMILES: C1CN=C(N1)Nc1cccc2c1CCC2
• InChI: InChI=1S/C12H15N3/c1-3-9-4-2-6-11(10(9)5-1)15-12-13-7-8-14-12/h2,4,6H,1,3,5,7-8H2,(H2,13,14,15)
• InChIKey: KUCWWEPJRBANHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
• IUPAC传统名: N-(2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine
• 别名: N-(2,3-Dihydro-1H-inden-4-yl)-4,5-dihydro-1H-imidazol-2-amine; 2-(4-Indanamino)-2-imidazoline; Indanazoline

登记号

• CAS号: 40507-78-6
• PubChem SID: 164227490
• PubChem CID: 65979

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.1266303
• LogD (pH = 7.4): 0.11456441
• Log P: 2.284685
• 摩尔折射率: 62.3604 cm^3
• 极化性: 22.761927 Å^3
• 极化表面积: 36.42 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - I499800

Indanazoline is a sympathomimetic imidazoline derivative. Cyclopentamine showed vasoconstrictive action after local or intravenous applications.

参考文献

• Kretzschmar, R. et al.: Arzneim.-Forsch., 30, 1746 (1980)