2-propoxypropan-1-amine

• ChemBase ID: 308502
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: NCC(OCCC)C
• Canonical SMILES: CCCOC(CN)C
• InChI: InChI=1S/C6H15NO/c1-3-4-8-6(2)5-7/h6H,3-5,7H2,1-2H3
• InChIKey: ZYSOCEMLXONWAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propoxypropan-1-amine
• IUPAC Traditional name: 2-propoxypropan-1-amine
• Synonyms: (2-propoxypropyl)amine

Database IDs

• CAS Number: 883533-22-0
• MDL Number: MFCD06248742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3643274
• LogD (pH = 7.4): -1.4243358
• Log P: 0.623471
• Molar Refractivity: 34.6537 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 35.25 Å^2