1-aminopropan-2-one

• ChemBase ID: 125146
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: O=C(C)CN
• Canonical SMILES: CC(=O)CN
• InChI: InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
• InChIKey: BCDGQXUMWHRQCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopropan-2-one
• IUPAC Traditional name: α-aminoacetone
• Synonyms: Aminoacetone; alpha-Aminoacetone; 1-Amino-2-propanone; 1-aminoacetone

Database IDs

• CAS Number: 298-08-8
• MDL Number: MFCD00869738
• PubChem SID: 162219496
• PubChem CID: 215
• CHEBI ID: 17906
• Chemspider ID: 210
• KEGG ID: C01888
• Wikipedia Title: 1-Amino-2-propanone

CALCULATED PROPERTIES

• Log P: -0.81785005
• Molar Refractivity: 19.5545 cm^3
• Polarizability: 7.8588223 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.29553
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0827453
• LogD (pH = 7.4): -1.3939892

PROPERTIES

Product Information

• Purity: 95+%; 98%