2-hydroxypropanoic acid amine

• ChemBase ID: 148243
• Molecular Formular: C3H9NO3
• Molecular Mass: 107.10846
• Monoisotopic Mass: 107.05824315
• SMILES: CC(C(=O)O)O.N
• Canonical SMILES: OC(=O)C(O)C.N
• InChI: InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
• InChIKey: RZOBLYBZQXQGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropanoic acid amine
• IUPAC Traditional name: lactic acid amine
• Synonyms: Ammonium lactate solution; 乳酸铵 溶液

Database IDs

• CAS Number: 515-98-0
• MDL Number: MFCD00036411
• PubChem SID: 162242419; 24863212
• PubChem CID: 10129918

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 18.8398 cm^3
• Polarizability: 7.546188 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.054 g/mL at 25 °C
• Refractive Index: n20/D 1.363

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Concentration: 20 wt. % in H2O
• Grade: technical grade
• Impurities: 2-3% lactic acid lactate, ammonium salt
• Linear Formula: CH3CH(OH)CO2NH4

DETAILS

Sigma Aldrich - 377228

Packaging
100 mL in poly bottle
500 mL in glass bottle