1H-imidazol-1-amine

• ChemBase ID: 804039
• Molecular Formular: C3H5N3
• Molecular Mass: 83.0919
• Monoisotopic Mass: 83.04834718
• SMILES: n1(cncc1)N
• Canonical SMILES: Nn1cncc1
• InChI: InChI=1S/C3H5N3/c4-6-2-1-5-3-6/h1-3H,4H2
• InChIKey: MXZANEWAFZMPKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazol-1-amine
• IUPAC Traditional name: aminoimidazole
• Synonyms: IMIDAZOL-1-AMINE

Database IDs

• CAS Number: 51741-29-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4340969
• LogD (pH = 7.4): -1.1204169
• Log P: -1.1108233
• Molar Refractivity: 24.9076 cm^3
• Polarizability: 8.285866 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%