14-(morpholin-4-yl)tetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one

• ChemBase编号: 153727
• 分子式: C21H17NO2
• 平均质量: 315.36518
• 单一同位素质量: 315.12592879
• SMILES: c1ccc2c(c1)c1ccc(c3c1c(ccc3)C2=O)N1CCOCC1
• Canonical SMILES: O=C1c2ccccc2c2c3c1cccc3c(cc2)N1CCOCC1
• InChI: InChI=1S/C21H17NO2/c23-21-16-5-2-1-4-14(16)15-8-9-19(22-10-12-24-13-11-22)17-6-3-7-18(21)20(15)17/h1-9H,10-13H2
• InChIKey: UPHRHDIPADDOBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 14-(morpholin-4-yl)tetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
• IUPAC传统名: 14-(morpholin-4-yl)tetracyclo[7.7.1.0^2,^7.0^1^3,^1^7]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
• 别名: 3-Morpholino-7H-benz[de]anthracen-7-one; 3-Morpholinobenzanthrone

登记号

• CAS号: 299927-47-2
• MDL号: MFCD00228010
• PubChem SID: 162247866; 24873400
• PubChem CID: 2840396

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.9855783
• LogD (pH = 7.4): 3.9855983
• Log P: 3.9855986
• 摩尔折射率: 95.665 cm^3
• 极化性: 38.698895 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 荧光: λex 439 nm; λem 632 nm in dimethyl sulfide

安全信息

• 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: ≥98.0% (HPLC)
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C21H17NO2

详细说明

Sigma Aldrich - 50726

Other Notes
Long-wave-length (λem 653, MeOH) fluorescent probe for cell membranes, especially for lymphocytes. It is photostable and not cell-toxic; it is sensitive to changes in membrane structure1