2-(dimethylamino)ethyl acetate

• ChemBase ID: 294268
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: CC(=O)OCCN(C)C
• Canonical SMILES: CN(CCOC(=O)C)C
• InChI: InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3
• InChIKey: GOLSFPMYASLXJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethyl acetate
• IUPAC Traditional name: 2-(dimethylamino)ethyl acetate
• Synonyms: 2-(Dimethylamino)ethyl acetate

Database IDs

• CAS Number: 1421-89-2
• MDL Number: MFCD00041912
• PubChem SID: 180679799
• PubChem CID: 15013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.876681
• LogD (pH = 7.4): -1.1152358
• Log P: -0.058807135
• Molar Refractivity: 35.4319 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%