[5-(aminomethyl)furan-2-yl]methanamine

• ChemBase ID: 162161
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: c1(ccc(o1)CN)CN
• Canonical SMILES: NCc1ccc(o1)CN
• InChI: InChI=1S/C6H10N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3-4,7-8H2
• InChIKey: VKLGKDZCKSMSHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(aminomethyl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(aminomethyl)furan-2-yl]methanamine
• Synonyms: Aminomethyl-5 Furfurylamine-2; C-(5-Aminomethyl-furan-2-yl)-methylamine; 2,5-Bis(aminomethyl)furan

Database IDs

• CAS Number: 2213-51-6
• PubChem SID: 162256296
• PubChem CID: 13561170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.620464
• LogD (pH = 7.4): -2.2417738
• Log P: -0.79496956
• Molar Refractivity: 35.2732 cm^3
• Polarizability: 13.919089 Å^3
• Polar Surface Area: 65.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 76°C/0.5 Torr