10-(pyren-1-yl)decanoic acid

• ChemBase编号: 131023
• 分子式: C26H28O2
• 平均质量: 372.49932
• 单一同位素质量: 372.20893014
• SMILES: c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCCCCCCCC(=O)O
• Canonical SMILES: OC(=O)CCCCCCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C26H28O2/c27-24(28)12-7-5-3-1-2-4-6-9-19-13-14-22-16-15-20-10-8-11-21-17-18-23(19)26(22)25(20)21/h8,10-11,13-18H,1-7,9,12H2,(H,27,28)
• InChIKey: PIMKEUIWMFJVNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 10-(pyren-1-yl)decanoic acid
• IUPAC传统名: 10-(pyren-1-yl)decanoic acid
• 别名: 10-(1-Pyrenyl)decanoic acid; 1-Pyrenedecanoic acid

登记号

• CAS号: 64701-47-9
• MDL号: MFCD00056577
• Beilstein号: 2007670
• PubChem SID: 162225301
• PubChem CID: 162908

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 6.8224196
• LogD (pH = 7.4): 5.0632844
• Log P: 7.478225
• 摩尔折射率: 114.8382 cm^3
• 极化性: 48.523624 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 340 nm; λem 376 nm in methanol

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): C26H28O2

详细说明

Sigma Aldrich - 82660

Analysis Note
In addition to the emission maximum at 376 nm, there are lower maxima at 396, 415 and 440 nm.
Other Notes
Anionic membrane probe1; Measurement of membrane fluidity of polymorphonuclear leukocytes by flow cytometry2; Biosynthetically incorporated into cultured fibroblasts3