4-methoxybutan-1-amine

• ChemBase ID: 258389
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCCCCOC
• Canonical SMILES: COCCCCN
• InChI: InChI=1S/C5H13NO/c1-7-5-3-2-4-6/h2-6H2,1H3
• InChIKey: YUUFAJOXLZUDJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxybutan-1-amine
• IUPAC Traditional name: 4-methoxybutan-1-amine
• Synonyms: 4-methoxybutan-1-amine

Database IDs

• MDL Number: MFCD00086086
• PubChem SID: 164314299
• PubChem CID: 533909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1190474
• LogD (pH = 7.4): -2.6977358
• Log P: -0.095111966
• Molar Refractivity: 30.4723 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.488

Product Information

• Purity: 95%