1H-imidazol-2-amine hydrochloride

• ChemBase ID: 75734
• Molecular Formular: C3H6ClN3
• Molecular Mass: 119.55284
• Monoisotopic Mass: 119.02502489
• SMILES: n1c([nH]cc1)N.Cl
• Canonical SMILES: Nc1ncc[nH]1.Cl
• InChI: InChI=1S/C3H5N3.ClH/c4-3-5-1-2-6-3;/h1-2H,(H3,4,5,6);1H
• InChIKey: QKUZBZFCWCJPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: 1H-imidazol-2-amine hydrochloride; aminoimidazole hydrochloride
• Synonyms: 1H-Imidazol-2-amine hydrochloride; 2-Amino-1H-imidazole hydrochloride

Database IDs

• CAS Number: 57575-96-9
• MDL Number: MFCD06795693
• PubChem SID: 162040652
• PubChem CID: 12211238

CALCULATED PROPERTIES

• Acid pKa: 13.927375
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.3633752
• LogD (pH = 7.4): -1.3127708
• Log P: -0.28990015
• Molar Refractivity: 23.1865 cm^3
• Polarizability: 8.296565 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 152-154°C

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Store under Argon

Product Information

• Purity: 98%