1-(5-methylfuran-2-yl)ethane-1,2-diamine

• ChemBase ID: 244061
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: c1(oc(cc1)C)C(N)CN
• Canonical SMILES: Cc1ccc(o1)C(CN)N
• InChI: InChI=1S/C7H12N2O/c1-5-2-3-7(10-5)6(9)4-8/h2-3,6H,4,8-9H2,1H3
• InChIKey: HVRFFLOYIZGOTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methylfuran-2-yl)ethane-1,2-diamine
• IUPAC Traditional name: 1-(5-methylfuran-2-yl)ethane-1,2-diamine
• Synonyms: 1-(5-methylfuran-2-yl)ethane-1,2-diamine

Database IDs

• MDL Number: MFCD11503437
• PubChem SID: 164299971
• PubChem CID: 43519546

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.499892
• LogD (pH = 7.4): -1.7354043
• Log P: -0.3783945
• Molar Refractivity: 39.692 cm^3
• Polarizability: 15.687506 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.058

Product Information

• Purity: 95%