6-methyl-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraen-4-one

• ChemBase编号: 105483
• 分子式: C16H17NO2
• 平均质量: 255.31168
• 单一同位素质量: 255.12592879
• SMILES: Cc1cc(=O)oc2c3CCCN4CCCc(cc12)c34
• Canonical SMILES: O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3
• InChI: InChI=1S/C16H17NO2/c1-10-8-14(18)19-16-12-5-3-7-17-6-2-4-11(15(12)17)9-13(10)16/h8-9H,2-7H2,1H3
• InChIKey: XHXMPURWMSJENN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-methyl-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraen-4-one; 6-methyl-3-oxa-13-azatetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1,5,7,9(17)-tetraen-4-one
• IUPAC传统名: coumarin 102
• 别名: 2,3,6,7-四氢-9-甲基-1H,5H-喹嗪并(9,1-gh)香豆素; 8-甲基-2,3,5,6-四氢-1H,4H-11-氧杂-3a-氮杂-苯并(de)蒽-10-酮; 香豆素 480; 香豆素 102; 2,3,6,7-Tetrahydro-9-methyl-1H,5H-quinolizino(9,1-gh)coumarin; 8-Methyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo(de)anthracen-10-one; Coumarin 480; Coumarin 102; COUMARIN 102 LASER GRADE; 9-methyl-2,3,6,7-tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one

登记号

• CAS号: 41267-76-9
• EC号: 255-285-6
• MDL号: MFCD00041844
• Beilstein号: 4818243
• PubChem SID: 24889205; 24878877; 162093614
• PubChem CID: 94517

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1534402
• LogD (pH = 7.4): 3.159633
• Log P: 3.1597123
• 摩尔折射率: 76.0804 cm^3
• 极化性: 28.111296 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 149-153 °C; 152-156 °C(lit.)
• 紫外吸收波长: λmax 390 nm
• 荧光: λem 466 nm in ethanol (Lasing peak 479 nm, lasing range 461 - 513 nm (methanol), pump source XeCl (308 nm)); λex 390 nm; λem 470 nm in methanol

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: DJ3320000
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97.0% (HPLC)
• 级别: for fluorescence
• 主要成分: Dye content, 99%
• Empirical Formula (Hill Notation): C16H17NO2
• 分类: Derivatives & analogs of Natural Compounds

详细说明

MP Biomedicals - 02190351

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

Sigma Aldrich - 546151

Application
激光染料
包装
100 mg in glass bottle

Sigma Aldrich - 89284

Application
激光染料

参考文献

• Laser Focus , 9(3) : 35 (1973).
• Opt. Commun. , 7 : 248 (1973).