(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine

• ChemBase编号: 308135
• 分子式: C11H15NO
• 平均质量: 177.2429
• 单一同位素质量: 177.11536411
• SMILES: c1(c(cc2c(c1)CCC2)OC)CN
• Canonical SMILES: NCc1cc2CCCc2cc1OC
• InChI: InChI=1S/C11H15NO/c1-13-11-6-9-4-2-3-8(9)5-10(11)7-12/h5-6H,2-4,7,12H2,1H3
• InChIKey: GDFXDWRMYNDYMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine
• IUPAC传统名: (6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine
• 别名: 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanamine

登记号

• CAS号: 879063-08-8
• MDL号: MFCD07403242

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.96176845
• LogD (pH = 7.4): 0.33493444
• Log P: 1.9490285
• 摩尔折射率: 53.8758 cm^3
• 极化性: 20.85949 Å^3
• 极化表面积: 35.25 Å^2