7-(ethylamino)-4,6-dimethyl-2H-chromen-2-one

• ChemBase编号: 13848
• 分子式: C13H15NO2
• 平均质量: 217.2637
• 单一同位素质量: 217.11027873
• SMILES: c12c(cc(c(c1)NCC)C)c(cc(=O)o2)C
• Canonical SMILES: CCNc1cc2oc(=O)cc(c2cc1C)C
• InChI: InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3
• InChIKey: QZXAEJGHNXJTSE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(ethylamino)-4,6-dimethyl-2H-chromen-2-one
• IUPAC传统名: 7-(ethylamino)-4,6-dimethylchromen-2-one
• 别名: 4,6-二甲基-7-(乙基氨基)香豆素; 7-Ethylamino-4,6-dimethyl-chromen-2-one; 4,6-Dimethyl-7-(ethylamino)coumarin; COUMARIN 2

登记号

• CAS号: 26078-25-1
• MDL号: MFCD00006860
• PubChem SID: 160977155
• PubChem CID: 96929

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.406186
• LogD (pH = 7.4): 2.4255097
• Log P: 2.4257617
• 摩尔折射率: 65.8142 cm^3
• 极化性: 24.122656 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C13H15NO2
• 分类: Rare Derivatives of Natural Compounds

详细说明

MP Biomedicals - 02190345

Laser Grade
Suitable for use as laser dye.
Efficient laser dye for pulsed and CW operation.

Sigma Aldrich - D157503

Application
适于用作激光染料

参考文献

• Opt. Commun., 7: 248 (1973).
• F.P. Schafer, Ed., Dye Lasers, Springer, Berlin, (1973).