1-methoxybutan-2-amine

• ChemBase ID: 110802
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: CCC(N)COC
• Canonical SMILES: COCC(CC)N
• InChI: InChI=1S/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3
• InChIKey: QAFODUGVXFNLBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxybutan-2-amine
• IUPAC Traditional name: 1-methoxybutan-2-amine
• Synonyms: 1-methoxybutan-2-amine; 1-METHOXY-2-AMINOBUTANE

Database IDs

• CAS Number: 63448-63-5
• EC Number: 264-149-5
• MDL Number: MFCD00047920
• PubChem SID: 162103033
• PubChem CID: 93837

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7399354
• LogD (pH = 7.4): -1.9898504
• Log P: 0.26666304
• Molar Refractivity: 29.9051 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.166

Product Information

• Purity: 95%