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

• ChemBase ID: 162162
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C1CC(OC1CN)CN
• Canonical SMILES: NCC1CCC(O1)CN
• InChI: InChI=1S/C6H14N2O/c7-3-5-1-2-6(4-8)9-5/h5-6H,1-4,7-8H2
• InChIKey: XEXIPRQHXNUUAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(aminomethyl)oxolan-2-yl]methanamine
• IUPAC Traditional name: [5-(aminomethyl)oxolan-2-yl]methanamine
• Synonyms: 1,6-Diamino-2,5-anhydro-1,3,4,6-tetradeoxyhexitol; Tetrahydro-2,5-furanebis(methylamine); 2,5-Bis(aminomethyl)tetrahydrofuran

Database IDs

• CAS Number: 66918-21-6
• PubChem SID: 162256297
• PubChem CID: 11471861

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.9178457
• LogD (pH = 7.4): -5.0234647
• Log P: -0.94408655
• Molar Refractivity: 35.7935 cm^3
• Polarizability: 14.7968 Å^3
• Polar Surface Area: 61.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C Freezer