2-amino-2-methylpropan-1-ol

• ChemBase编号: 78118
• 分子式: C4H11NO
• 平均质量: 89.13624
• 单一同位素质量: 89.08406398
• SMILES: OCC(C)(N)C
• Canonical SMILES: OCC(N)(C)C
• InChI: InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3
• InChIKey: CBTVGIZVANVGBH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-2-methylpropan-1-ol
• IUPAC传统名: 2-amino-2-methyl-1-propanol; dimethylethanolamine
• 别名: β-氨基异丁醇; 2-氨基-2-甲基-1-丙醇; 2-Amino-2-methylpropanol; Isobutanolamine; β-Aminoisobutyl alcohol; 1-Hydroxy-2-methylpropan-2-amine; 2-Amino-1-hydroxy-2-methylpropane; 2-Amino-2-methylpropan-1-ol; Isobutanol-2-Amine; 2-Aminodimethyl Ethanol; β-Aminoisobutyl alcohol; 2-AMINO-2-METHYL-1-PROPANOL; AMP 95; AMP; 2-Amino-2-methyl-1-propanol

登记号

• CAS号: 124-68-5
• EC号: 204-709-8
• MDL号: MFCD00008051
• Beilstein号: 505979
• 默克索引号: 14449
• PubChem SID: 24846200; 24891100; 24891424; 24846199; 162042939
• PubChem CID: 11807

理论计算性质

• Acid pKa: 14.802175
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.6381552
• LogD (pH = 7.4): -3.1101952
• Log P: -0.61840916
• 摩尔折射率: 25.2681 cm^3
• 极化性: 10.242338 Å^3
• 极化表面积: 46.25 Å^2
• 可自由旋转的化学键: 1
• 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, colorless
• 熔点: 24-28 °C(lit.); 24-28°C; 24-32°C; 31-32°C; ca. 30 - 31 °C
• 沸点: 164-166°C; 164-167°C; 165 °C(lit.); ca. 165 °C at 1013 hPa
• 闪点: 154.4 °F; 67°C(152°F); 68 °C; 68°C; ca. 78 °C (Tag closed cup)
• 自燃点: 437.7 °C at 1013 hPa (ASTM D 2155)
• 密度: 0.934; 0.934 at 20 °C (water = 1); 0.934 g/mL at 25 °C(lit.)
• 折射率: 1.4455; n20/D 1.4455(lit.); n20/D 1.448
• 蒸汽压: < .1 hPa at 20 °C; <1 mmHg ( 25 °C)
• 蒸汽密度: 3 (vs air); 3.0 (air = 1)
• 紫外吸收波长: λ: 260 nm Amax: 0.01; λ: 280 nm Amax: 0.01
• pKa: 9.7; 9.7 (25°C)
• pH值: 11.0-12.0 (25 °C, 0.1 M in H2O)

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: Irritant/Hygroscopic/Store under Argon
• RTECS编号: UA5950000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1; 3
• 危险公开号: 36/38-52/53; R:36/38-52/53
• 安全公开号: 26-61; 61; S:61
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H227-H402-H412; H315-H319-H412
• GHS警示性声明: P273-P305 + P351 + P338; P280G-P273-P305+P351+P338-P337+P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥90% (GC); ≥95%; ≥97.0% (GC); ≥98.0% g/mL; ≥99.0% (GC); 90%; 95%, may cont. ca 5% water; 95+%
• 级别: purum; SAJ first grade; technical; technical grade
• 燃烧残渣: ≤0.1%
• 杂质: ~5% Water; ≤0.005% Phosphorus (P); ≤0.1% Insoluble matter; ≤5% 2-(Methylamino)-2-methyl-1-propanol; 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: ≤0.0005%; Ca: ≤10 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; 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: carbonate (CO32-): ≤1000 mg/kg; chloride (Cl-): ≤0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤50 mg/kg
• pH范围: 9.0 - 10.5
• λ: 0.1 M in H2O
• 适用pH范围: 9.0 - 10.5
• 产品线: BioUltra
• 线性分子式: (CH3)2C(NH2)CH2OH

详细说明

MP Biomedicals - 02100627

Free Base
1 ml = approx. 0.93 g
Useful buffer in the range pH 9.0 to 10.5

Apollo Scientific Ltd - OR1740T

Used for the preparation of buffer solutions, suitable for the determination of alkaline phosphatase.

Sigma Aldrich - A65182

Application
在 Salen-Co 催化剂存在的条件下，可与 CO 发生羰基化反应，高效合成 2-噁唑烷酮类化合物。
用于衍生羧酸气体色谱分析1，合成 2-噁唑啉类化合物2 以进一步转化成其他物质。3
包装
1 L in poly bottle
25, 500 mL in poly bottle

Sigma Aldrich - 08578

Caution
may solidify at room temperature
Other Notes
Determination of alkaline phosphatase1,2; Stabilizes the Calmagite reagent in the automated measurement of magnesium in serum and urine3.
Application
2-Amino-2-methyl-1-propanol can be used to study biological buffers. 2-Amino-2-methyl-1-propanol has been used in a study to report on an ATR-FTIR spectroscopic investigation of the CO(2) absorption characteristics of a series of heterocyclic diamines. 2-Amino-2-methyl-1-propanol has also been used in a study to develop a mild and convenient method for preparing 4,4-dimethyloxazoline (DMOX) derivatives of fatty acids for GC-MS analysis.

Sigma Aldrich - A9199

包装
100, 250, 500 mL in glass bottle

Toronto Research Chemicals - A617400

Used for the preparation of buffer solutions, suitable for the determination of alkaline phosphatase.

参考文献

• Derks, H.J.G.M., et al.: Clin. Chem., 27, 1401 (1981)
• 2-Aryl-4,4-dimethyl-2-oxazolines are activated towards ortho-lithiation: J. Org. Chem., 40, 3058 (1975). Methoxy- or fluoro-substituents in the ortho-position are readily substitutied by organolithiums or Grignards, providing a versatile route to biaryls: J. Am. Chem. Soc ., 97, 7383 (1975). For examples, see: Org. Synth. Coll., 9, 258 (1998). The oxazoline can also be converted to an aldehyde by methylation and borohydride reduction.
  
• Buffer and phosphate acceptor in assay of phosphatases: Methods of Enzymatic Analysis, 3rd ed., H. U. Bergmeyer, Ed., Verlag Chemie, Weinheim (1984), vol. 4, p76.
• For reviews of the use of oxazolines in synthesis, see: Angew. Chem. Int. Ed., 15, 270 (1976); Tetrahedron, 41, 837 (1985); 50, 2297 (1994).
• Precursor of 2-substituted-4,4-dimethyl-2-oxazoline derivatives of carboxylic acids: J. Org. Chem., 39, 2787 (1974), developed by Meyers. The oxazoline, which is readily formed with the acid chloride and thionyl chloride, is stable to base, organometallic reagents, etc., but readily cleaved by dilute acid. For further information on the reactivity of these derivatives, see 2,4,4-Trimethyl-2-oxazoline, L00181.