2-hydroxypropane-1,2,3-tricarboxylic acid diamine

• ChemBase编号: 103630
• 分子式: C6H14N2O7
• 平均质量: 226.18456
• 单一同位素质量: 226.0801008
• SMILES: N.N.OC(=O)CC(O)(CC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C(CC(=O)O)(CC(=O)O)O.N.N
• InChI: InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
• InChIKey: YXVFQADLFFNVDS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxypropane-1,2,3-tricarboxylic acid diamine
• IUPAC传统名: citro diamine
• 别名: 枸椽酸氢二铵; 柠檬酸 铵盐; 柠檬酸氢二铵; 柠檬酸铵 二元; Ammonium hydrogen citrate solution; Diammonium hydrogen citrate solution; Ammonium citrate dibasic solution; Ammonium citrate dibasic; Ammonium hydrogencitrate; Citric acid ammonium salt; Diammonium hydrogen citrate; AMMONIUM CITRATE, DIBASIC, ACS

登记号

• CAS号: 3012-65-5
• EC号: 221-146-3
• MDL号: MFCD00013068
• Beilstein号: 4925760
• PubChem SID: 24846458; 24854875; 24855096; 162090949
• PubChem CID: 13710713

理论计算性质

• Acid pKa: 3.0479515
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -4.949584
• LogD (pH = 7.4): -9.468992
• Log P: -1.3226875
• 摩尔折射率: 35.6239 cm^3
• 极化性: 14.4795475 Å^3
• 极化表面积: 132.13 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble1 M at 20 °C, clear, colorless
• 密度: 1.22 g/mL at 20 °C
• 蒸汽密度: 1.8 (vs air)
• 紫外吸收波长: λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.03
• pH值: 4.0-5.5 (25 °C, 1 M in H2O); 4.5-5.5 (20 °C, 5%)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: GE7545000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 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): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 36/37
• 安全公开号: 26
• 美国ERG指导号: 171
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: 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; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ~98% (capillary GC); ≥98%; ≥98.0% (T); ≥99.0%; ≥99.0% (T); 98%; 98.0-102.0%; 98.0-103.0% (ACS specification); 98-100%
• 浓度: 2.5 M in H2O
• 级别: ACS; ACS reagent; JIS special grade; puriss.; puriss. p.a.; purum p.a.; REAGENT
• 适用性: suitable for atomic absorption spectrometry
• 燃烧残渣: ≤0.01%; ≤0.01% (as SO4)
• 杂质: ≤0.001% heavy metals (as Pb); ≤0.005% insolubles; ≤2% water; insoluble matter, passes filter test; oxalate, passes test(lim ~0.05%)
• 痕量阳离子: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.001%; Fe: ≤1 mg/kg; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤20 mg/kg; K: ≤500 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Na: ≤100 mg/kg; Na: ≤20 mg/kg; Na: ≤50 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤1 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; oxalate (C2O42-): ≤500 mg/kg; phosphate (PO43-): ≤5 mg/kg; phosphate (PO43-): ≤5 ppm; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 1 M in H2O
• 产品线: BioUltra
• 线性分子式: (NH4)2C6H6O7; HOC(CO2H)(CH2CO2NH4)2

详细说明

MP Biomedicals - 02152494

ACS Reagent Grade
Purity: 98-100%

Sigma Aldrich - 247561

包装
100, 500 g in poly bottle
2.5 kg in poly bottle