2-(propylamino)propan-1-ol

• ChemBase ID: 308179
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: N(C(CO)C)CCC
• Canonical SMILES: CCCNC(CO)C
• InChI: InChI=1S/C6H15NO/c1-3-4-7-6(2)5-8/h6-8H,3-5H2,1-2H3
• InChIKey: RBDMEECWQBIBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propylamino)propan-1-ol
• IUPAC Traditional name: 2-(propylamino)propan-1-ol
• Synonyms: 2-(propylamino)-1-propanol

Database IDs

• CAS Number: 24417-05-8
• MDL Number: MFCD10686583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8104033
• LogD (pH = 7.4): -2.1771631
• Log P: 0.4129249
• Molar Refractivity: 34.6771 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 32.26 Å^2