1-(dimethylamino)propan-2-yl acetate

• ChemBase ID: 110451
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: CC(CN(C)C)OC(=O)C
• Canonical SMILES: CN(CC(OC(=O)C)C)C
• InChI: InChI=1S/C7H15NO2/c1-6(5-8(3)4)10-7(2)9/h6H,5H2,1-4H3
• InChIKey: UNAHOIFQEOHOMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylamino)propan-2-yl acetate
• IUPAC Traditional name: 1-(dimethylamino)propan-2-yl acetate
• Synonyms: β-DIMETHYLAMINOISOPROPYL ACETATE

Database IDs

• CAS Number: 32188-28-6
• PubChem SID: 162095827
• PubChem CID: 253127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.631287
• LogD (pH = 7.4): -0.9117843
• Log P: 0.35776788
• Molar Refractivity: 39.8507 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215069

MP Biomedicals Rare Chemical collection