(1,1-diethoxyethyl)dimethylamine

• ChemBase ID: 292825
• Molecular Formular: C8H19NO2
• Molecular Mass: 161.24196
• Monoisotopic Mass: 161.14157885
• SMILES: CCOC(C)(OCC)N(C)C
• Canonical SMILES: CCOC(N(C)C)(OCC)C
• InChI: InChI=1S/C8H19NO2/c1-6-10-8(3,9(4)5)11-7-2/h6-7H2,1-5H3
• InChIKey: XUFDMPZZAIRCGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,1-diethoxyethyl)dimethylamine
• IUPAC Traditional name: (1,1-diethoxyethyl)dimethylamine
• Synonyms: 1,1-Diethoxy-N,N-dimethylethanamine

Database IDs

• CAS Number: 19429-85-7
• PubChem SID: 180678356
• PubChem CID: 356049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6458473
• LogD (pH = 7.4): 1.7714673
• Log P: 1.7733288
• Molar Refractivity: 46.6612 cm^3
• Polarizability: 18.374706 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%