2-methoxypropan-1-amine

• ChemBase ID: 308503
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: NCC(OC)C
• Canonical SMILES: CC(OC)CN
• InChI: InChI=1S/C4H11NO/c1-4(3-5)6-2/h4H,3,5H2,1-2H3
• InChIKey: UANWURKQKKYIGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropan-1-amine
• IUPAC Traditional name: 2-methoxypropan-1-amine
• Synonyms: (2-methoxypropyl)amine

Database IDs

• CAS Number: 3124-96-7
• MDL Number: MFCD06248076

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2437024
• LogD (pH = 7.4): -2.304067
• Log P: -0.25585935
• Molar Refractivity: 25.3811 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2