2-[ethyl(methyl)amino]ethan-1-ol

• ChemBase ID: 110285
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: CCN(C)CCO
• Canonical SMILES: OCCN(CC)C
• InChI: InChI=1S/C5H13NO/c1-3-6(2)4-5-7/h7H,3-5H2,1-2H3
• InChIKey: UWKDZWSATBBGBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(ethylmethylamino)-
• Synonyms: 2-(N-METHYLETHYLAMINO)ETHANOL

Database IDs

• CAS Number: 2893-43-8
• PubChem SID: 162095820
• PubChem CID: 17916

CALCULATED PROPERTIES

• Acid pKa: 15.593851
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.464008
• LogD (pH = 7.4): -2.0273108
• Log P: -0.1431246
• Molar Refractivity: 31.029 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214432

MP Biomedicals Rare Chemical collection