3-methoxy-2-methylpropane-1,2-diamine

• ChemBase ID: 274842
• Molecular Formular: C5H14N2O
• Molecular Mass: 118.17746
• Monoisotopic Mass: 118.11061308
• SMILES: C(N)(CN)(COC)C
• Canonical SMILES: CC(CN)(COC)N
• InChI: InChI=1S/C5H14N2O/c1-5(7,3-6)4-8-2/h3-4,6-7H2,1-2H3
• InChIKey: CYHVALFTSWLECK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methylpropane-1,2-diamine
• IUPAC Traditional name: 3-methoxy-2-methylpropane-1,2-diamine
• Synonyms: 3-methoxy-2-methylpropane-1,2-diamine

Database IDs

• MDL Number: MFCD16788190
• PubChem SID: 164330752
• PubChem CID: 54593394

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.5570993
• LogD (pH = 7.4): -3.3871024
• Log P: -1.1290745
• Molar Refractivity: 33.2205 cm^3
• Polarizability: 13.683678 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.711

Product Information

• Purity: 95%