2-amino-2-methylpropane-1,3-diol

• ChemBase ID: 103012
• Molecular Formular: C4H11NO2
• Molecular Mass: 105.13564
• Monoisotopic Mass: 105.0789786
• SMILES: CC(N)(CO)CO
• Canonical SMILES: OCC(CO)(N)C
• InChI: InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
• InChIKey: UXFQFBNBSPQBJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropane-1,3-diol
• IUPAC Traditional name: AMPD
• Synonyms: Ammediol; 2-Amino-2-methyl-1,3-propanediol; 2-amino-2-methylpropane-1,3-diol; Isobutanediol-2-amine; Aminoglycol; AMPD; Gentimon; Pentaerythritol dichlorohydrin; 2-AMINO-2-METHYL-1,3-PROPANEDIOL; 氨甲基丙二醇; 2-氨基-2-甲基-1,3-丙二醇

Database IDs

• CAS Number: 115-69-5
• EC Number: 204-100-7
• MDL Number: MFCD00004678
• Beilstein Number: 635708
• PubChem SID: 24846197; 24846196; 162090219; 24891223; 24891493
• PubChem CID: 1531

CALCULATED PROPERTIES

• Acid pKa: 14.420516
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.65181
• LogD (pH = 7.4): -3.7015345
• Log P: -1.6653192
• Molar Refractivity: 26.8118 cm^3
• Polarizability: 10.888223 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.5 M at 20 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless
• Melting Point: 100-110 °C; 100-110 °C(lit.); 108 - 110°C; 109-111°C
• Boiling Point: 151 °C/10 mmHg(lit.); 151°C (dec.)
• Vapor Pressure: ~10 mmHg ( 152 °C)
• Vapor Density: 3.63 (vs air)
• Absorption Wavelength: λ: 260 nm Amax: 0.05; λ: 280 nm Amax: 0.03
• Hydrophobicity(logP): -1.091
• pKa: 8.8 (25°C)
• pH: 10.0-12.0 (20 °C, 0.5 M in H2O); 10.5-11.5 (25 °C, 1 M in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TY2975000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3259
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; S:20-25-26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: ≥97.0% (GC); ≥99%; ≥99.5% (NT); 95%; 99%
• Ignition Residue: <0.1%
• Impurities: <0.005% Phosphorus (P); <0.1% Insoluble matter; insoluble matter, passes filter test
• Cation Traces: Al: <0.001%; 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
• Antion Traces: carbonate (CO32-): ≤1000 mg/kg; chloride (Cl-): <0.05%; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): <0.05%; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ~1% loss on drying
• Quality Level: PREMIUM
• λ: 1 M in H2O
• Useful pH Range: 7.8 - 9.7
• Product Line: BioUltra; BioXtra
• Linear Formula: (HOCH2)2C(NH2)CH3

DETAILS

MP Biomedicals - 02150354

Crystalline
Biological buffer

Sigma Aldrich - A9754

Application
Buffer component in a SDS-gradient gel electrophoresis system that separates polypeptides in the molecular weight range of 1500 to 100,000.1 Used as a spacer in isotachophoresis of proteins.2,3 Also used as a buffer for the determination of alkaline phosphatase activity.4

Sigma Aldrich - A9074

Application
Buffer component in a SDS-gradient gel electrophoresis system that separates polypeptides in the molecular weight range of 1500 to 100,000.1 Used as a spacer in isotachophoresis of proteins.2,3 Also used as a buffer for the determination of alkaline phosphatase activity.4

Sigma Aldrich - A65174

Application
Buffer component in a SDS-gradient gel electrophoresis system that separates polypeptides in the molecular weight range of 1500 to 100,000.1 Used as a spacer in isotachophoresis of proteins.2,3 Also used as a buffer for the determination of alkaline phosphatase activity.4

Sigma Aldrich - 08569

Application
Buffer component in a SDS-gradient gel electrophoresis system that separates polypeptides in the molecular weight range of 1500 to 100,000.1 Used as a spacer in isotachophoresis of proteins.2,3 Also used as a buffer for the determination of alkaline phosphatase activity.4
2-Amino-2-methyl-1,3-propanediol can be used to study biological buffers. 2-Amino-2-methyl-1,3-propanediol has been used in a study to afford a new family of isostructural octanuclear Cu4Ln4 complexes. 2-Amino-2-methyl-1,3-propanediol has also been used in a study to improve cooling refrigerants for low-temperature applications.

Sigma Aldrich - 08570

Application
Buffer component in a SDS-gradient gel electrophoresis system that separates polypeptides in the molecular weight range of 1500 to 100,000.1 Used as a spacer in isotachophoresis of proteins.2,3 Also used as a buffer for the determination of alkaline phosphatase activity.4