10,12-dimethyl-5-azatetraphene

• ChemBase编号: 108699
• 分子式: C19H15N
• 平均质量: 257.3291
• 单一同位素质量: 257.12044949
• SMILES: Cc1cc2c(C)c3ccccc3nc2c2ccccc12
• Canonical SMILES: Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3
• InChI: InChI=1S/C19H15N/c1-12-11-17-13(2)15-8-5-6-10-18(15)20-19(17)16-9-4-3-7-14(12)16/h3-11H,1-2H3
• InChIKey: XOTOELYULGNYSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10,12-dimethyl-5-azatetraphene
• IUPAC传统名: 10,12-dimethyl-5-azatetraphene
• 别名: 5,7-DIMETHYL-1,2-BENZACRIDINE

登记号

• CAS号: 10567-95-0
• PubChem SID: 162094659
• PubChem CID: 25399

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8372025
• LogD (pH = 7.4): 5.50033
• Log P: 5.5225472
• 摩尔折射率: 82.5901 cm^3
• 极化性: 35.956314 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05208372

MP Biomedicals Rare Chemical collection