2-methyl-1-nitroso-2,3-dihydro-1H-indole

• ChemBase编号: 175485
• 分子式: C9H10N2O
• 平均质量: 162.1885
• 单一同位素质量: 162.07931295
• SMILES: c1ccc2c(c1)CC(N2N=O)C
• Canonical SMILES: O=NN1C(C)Cc2c1cccc2
• InChI: InChI=1S/C9H10N2O/c1-7-6-8-4-2-3-5-9(8)11(7)10-12/h2-5,7H,6H2,1H3
• InChIKey: KBCZSFIDYXEMTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-1-nitroso-2,3-dihydro-1H-indole
• IUPAC传统名: 2-methyl-1-nitroso-2,3-dihydroindole
• 别名: 2,3-Dihydro-2-methyl-1-nitroso-1H-indole; (+/-)-2,3-Dihydro-2-methyl-1-nitroso-1H-indole; rac 1-Nitroso-2-methylindoline

登记号

• CAS号: 85440-79-5
• PubChem SID: 164231395
• PubChem CID: 12598926

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1530359
• LogD (pH = 7.4): 2.1530359
• Log P: 2.1530359
• 摩尔折射率: 47.5565 cm^3
• 极化性: 17.279707 Å^3
• 极化表面积: 32.67 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 - N529945

Indapamide (I500100) impurity.

参考文献

• Padval, M., et al.: J. Pharm. Biomed. Anal., 10, 1033 (1993)
• Ozden, T., et al.: Pharm. Pharmacol. Commun., 4, 397 (1993)