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

• ChemBase ID: 308185
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(C(CO)C)(CC)C
• Canonical SMILES: OCC(N(CC)C)C
• InChI: InChI=1S/C6H15NO/c1-4-7(3)6(2)5-8/h6,8H,4-5H2,1-3H3
• InChIKey: VDKVVJABFRJUOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[ethyl(methyl)amino]propan-1-ol
• IUPAC Traditional name: 2-[ethyl(methyl)amino]propan-1-ol
• Synonyms: 2-[ethyl(methyl)amino]-1-propanol

Database IDs

• CAS Number: 1060817-16-4
• MDL Number: MFCD11053927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1235638
• LogD (pH = 7.4): -1.8769869
• Log P: 0.27345043
• Molar Refractivity: 35.4478 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 23.47 Å^2