(3-methoxypropyl)(methyl)amine

• ChemBase ID: 264692
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: N(CCCOC)C
• Canonical SMILES: CNCCCOC
• InChI: InChI=1S/C5H13NO/c1-6-4-3-5-7-2/h6H,3-5H2,1-2H3
• InChIKey: HJELPNLGHMWKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methoxypropyl)(methyl)amine
• IUPAC Traditional name: (3-methoxypropyl)(methyl)amine
• Synonyms: (3-methoxypropyl)(methyl)amine; (3-methoxypropyl)methylamine

Database IDs

• CAS Number: 55612-03-8
• MDL Number: MFCD09864402
• PubChem SID: 164320602
• PubChem CID: 12545984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4101775
• LogD (pH = 7.4): -2.9203742
• Log P: -0.17989424
• Molar Refractivity: 30.6023 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.063

Product Information

• Purity: 95%