(2,2-dimethoxyethyl)dimethylamine

• ChemBase ID: 74499
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: N(C)(C)CC(OC)OC
• Canonical SMILES: COC(CN(C)C)OC
• InChI: InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3
• InChIKey: HUYAEQCJNXODLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethoxyethyl)dimethylamine
• IUPAC Traditional name: (2,2-dimethoxyethyl)dimethylamine
• Synonyms: 2-(Dimethylamino)acetaldehyde dimethylacetal; 2,2-Dimethoxy-N,N-dimethylethylamine

Database IDs

• CAS Number: 38711-20-5
• MDL Number: MFCD00010205
• PubChem SID: 162039418
• PubChem CID: 123476

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1770084
• LogD (pH = 7.4): -0.40340427
• Log P: 0.42209652
• Molar Refractivity: 36.8127 cm^3
• Polarizability: 14.696601 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Flammable