12-(pyren-1-yl)dodecanoic acid

• ChemBase编号: 133357
• 分子式: C28H32O2
• 平均质量: 400.55248
• 单一同位素质量: 400.24023026
• SMILES: c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCCCCCCCCCC(=O)O
• Canonical SMILES: OC(=O)CCCCCCCCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1
• InChI: InChI=1S/C28H32O2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-13,15-20H,1-9,11,14H2,(H,29,30)
• InChIKey: JORFLUCVQONOPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 12-(pyren-1-yl)dodecanoic acid
• IUPAC传统名: 12-(pyren-1-yl)dodecanoic acid
• 别名: 12-(1-Pyrenyl)dodecanoic acid; 1-Pyrenedodecanoic acid

登记号

• CAS号: 69168-45-2
• MDL号: MFCD00080927
• Beilstein号: 2481235
• PubChem SID: 162227634; 24888030
• PubChem CID: 115189

理论计算性质

• Acid pKa: 4.9520197
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 7.711557
• LogD (pH = 7.4): 5.9524217
• Log P: 8.367362
• 摩尔折射率: 124.0402 cm^3
• 极化性: 52.215553 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 荧光: λex 339 nm; λem 377 nm in methanol

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC)
• 适用性: suitable for fluorescence
• Empirical Formula (Hill Notation): C28H32O2

详细说明

Sigma Aldrich - P7209

Analysis Note
Probe for studying uptake into cultured cells by FCM

Sigma Aldrich - 82663

Analysis Note
In addition to the emission maximum at 377 nm, there are lower maxima at 397, 418 and 440 nm.
Other Notes
Anionic membrane probe. Studies on the uptake of fluorescent fatty acids into cultured cells1,2