3-hydroxy-N,N-dimethylpropanamide

• ChemBase ID: 58817
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(N(C)C)CCO
• Canonical SMILES: OCCC(=O)N(C)C
• InChI: InChI=1S/C5H11NO2/c1-6(2)5(8)3-4-7/h7H,3-4H2,1-2H3
• InChIKey: ZEVPZBDCQLTDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-hydroxy-N,N-dimethylpropanamide
• Synonyms: 3-Hydroxy-N,N-dimethylpropanamide

Database IDs

• CAS Number: 29164-29-2
• MDL Number: MFCD03093023
• PubChem SID: 162063580
• PubChem CID: 541623

CALCULATED PROPERTIES

• Acid pKa: 15.771149
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1631715
• LogD (pH = 7.4): -1.1631715
• Log P: -1.1631715
• Molar Refractivity: 30.6609 cm^3
• Polarizability: 11.806096 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.004

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%