4-(pyren-1-yl)butanoic acid

• ChemBase编号: 103500
• 分子式: C20H16O2
• 平均质量: 288.33984
• 单一同位素质量: 288.11502975
• SMILES: OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34
• Canonical SMILES: OC(=O)CCCc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
• InChIKey: QXYRRCOJHNZVDJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(pyren-1-yl)butanoic acid
• IUPAC传统名: 4-(pyren-1-yl)butanoic acid
• 别名: 4-(1-芘基)丁酸; 1-芘丁酸; 1-Pyrenebutanoic Acid; 1-Pyrenylbutyric Acid; 4-(1-Pyrene)butanoic Acid; 4-(1-Pyrene)butyric Acid; 4-(1-Pyrenyl)butanoic Acid; NSC 30833; Pyrene-3-butyric Acid; γ-(3-Pyrenyl)butyric Acid; 4-(1-Pyrenyl)butyric acid; 1-PYRENEBUTYRIC ACID; PyBA; 1-Pyrenebutyric acid

登记号

• CAS号: 3443-45-6
• EC号: 222-354-7
• MDL号: MFCD00004141
• Beilstein号: 2140554
• PubChem SID: 24855581; 162090953
• PubChem CID: 76977

理论计算性质

• Acid pKa: 4.943805
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.148601
• LogD (pH = 7.4): 2.3883214
• Log P: 4.810813
• 摩尔折射率: 87.2322 cm^3
• 极化性: 37.53537 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO
• 外观: Brownish Yellow Solid
• 熔点: 184-186 °C(lit.); 184-186°C; 186-188°C
• 荧光: λex 341 nm; λem 376 nm in methanol; λex 342 nm; λem 395 nm (Reaction product)

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C20H16O2

详细说明

MP Biomedicals - 02151982

Reported to be a fluorescent probe for bovine serum.

Sigma Aldrich - 257354

包装
1 g in glass bottle
5 g in poly bottle

Toronto Research Chemicals - P980500

1-Pyrenebutyric Acid is a fluorescent probe used to study proteins, lipids, nucleic acids and other biological systems. The fluorescence lifetime of 1-Pyrenebutyric Acid depends on local oxygen and free radical concentration.

参考文献

• J. Biol. Chem., 244: 6309 (1969).
• Masuko, M. et al.: Nucleic Acids Res., 26, 5409 (1998)
• Rharass, T. et al.: Anal. Biochem., 357, 1 (1998)
• Martins, J. et al.: Biphys. J., 80, 832 (1998)