3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid

• ChemBase编号: 53588
• 分子式: C7H17NO6S
• 平均质量: 243.27798
• 单一同位素质量: 243.07765827
• SMILES: S(=O)(=O)(O)CCCNC(CO)(CO)CO
• Canonical SMILES: OCC(NCCCS(=O)(=O)O)(CO)CO
• InChI: InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
• InChIKey: YNLCVAQJIKOXER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid
• IUPAC传统名: 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonic acid; taps (buffer)
• 别名: N-[三(羟甲基)甲基]-3-氨基丙磺酸; [(2-羟基-1,1-二(羟甲基)乙基)氨基]-1-丙磺酸; 三羟甲基甲胺基丙磺酸; 3-[(羟甲基)甲基胺]丙烷磺酸; 3-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}-1-propanesulfonic acid; N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid; [(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]-1-propanesulfonic acid; TAPS FREE ACID; TAPS; 3-[Tris(hydroxymethyl)methyl]amino-1-propanesulfonic acid; N-Tris(hydroxymethyl)methyl-3-aminopropanesulfonic acid

登记号

• CAS号: 29915-38-6
• EC号: 249-954-1
• MDL号: MFCD00007538
• Beilstein号: 2452420
• PubChem SID: 162058351; 24889853; 24900259; 24900268; 24900596
• PubChem CID: 121591

理论计算性质

• Acid pKa: -0.89833564
• 质子受体: 7
• 质子供体: 5
• LogD (pH = 5.5): -4.4181337
• LogD (pH = 7.4): -4.4420524
• Log P: -4.417834
• 摩尔折射率: 52.6818 cm^3
• 极化性: 21.874325 Å^3
• 极化表面积: 127.09 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble0.5 M at 20 °C, clear; H2O: soluble1 M, clear, colorless
• 熔点: 189-192°C; 230-235 °C (dec.); 239-241°C dec.
• 闪点: >110 °C; >230 °F
• 紫外吸收波长: A1M/260, H2O ≤0.05; A1M/280, H2O ≤0.05; λ: 260 nm Amax: 0.012; λ: 280 nm Amax: 0.008
• pKa: 8.4
• pH值: 4.5-6.5 (25 °C, 0.1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39
• TSCA收录: false; 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0% (T); ≥99.5% (T); ≥99.5% (titration); 98%; 99%
• 级别: Biotechnology Performance Certified
• 适用性: cell culture tested
• 燃烧残渣: ≤0.1%; ≤0.1% (as SO4)
• 杂质: ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Fe: ≤0.0005%; Fe: ≤5 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤0.005%; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Foreign Activity: DNase, RNase, protease, none detected
• 干燥失重: ≤0.1% loss on drying, 110 °C
• pH范围: 7.7 - 9.1
• 产品质量级别: ELITE
• λ: 0.1 M in H2O
• 适用pH范围: 7.7 - 9.1
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C7H17NO6S

详细说明

MP Biomedicals - 02103007

Free Acid
Crystalline
pKa at 20°C = 8.4
Useful pH range 7.7-9.1

Sigma Aldrich - 219932

Application
生理缓冲液，

Sigma Aldrich - 93361

Other Notes
用于研究叶绿体片层制备中的电子转移和磷酸化作用1；在冷冻干燥期间为氧合血红蛋白提供充分的保护，使其免于氧化成高铁血红蛋白2；结合柱上瞬间等速电泳预富集，通过毛细管区带电泳进行的蛋白质痕量分析中的背景电解质3