(1,3,4-oxadiazol-2-yl)methanamine

• ChemBase ID: 811889
• Molecular Formular: C3H5N3O
• Molecular Mass: 99.0913
• Monoisotopic Mass: 99.0432618
• SMILES: C(N)c1ocnn1
• Canonical SMILES: NCc1nnco1
• InChI: InChI=1S/C3H5N3O/c4-1-3-6-5-2-7-3/h2H,1,4H2
• InChIKey: FLOHHSLSDRAFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,3,4-oxadiazol-2-yl)methanamine
• IUPAC Traditional name: 1,3,4-oxadiazol-2-ylmethanamine
• Synonyms: (1,3,4-OXADIAZOL-2-YL)METHANAMINE

Database IDs

• CAS Number: 716329-40-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4687142
• LogD (pH = 7.4): -2.0325146
• Log P: -1.8463795
• Molar Refractivity: 24.784 cm^3
• Polarizability: 8.884871 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%