N-ethyl-1H-imidazol-2-amine hydrochloride

• ChemBase ID: 240978
• Molecular Formular: C5H10ClN3
• Molecular Mass: 147.606
• Monoisotopic Mass: 147.05632502
• SMILES: c1(ncc[nH]1)NCC.Cl
• Canonical SMILES: CCNc1ncc[nH]1.Cl
• InChI: InChI=1S/C5H9N3.ClH/c1-2-6-5-7-3-4-8-5;/h3-4H,2H2,1H3,(H2,6,7,8);1H
• InChIKey: YPGUTVIARMTADV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: N-ethyl-1H-imidazol-2-amine hydrochloride
• Synonyms: N-ethyl-1H-imidazol-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22421794
• PubChem SID: 164296888
• PubChem CID: 71756674

CALCULATED PROPERTIES

• Acid pKa: 13.792095
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.69625705
• LogD (pH = 7.4): -0.30991927
• Log P: 0.36861187
• Molar Refractivity: 33.4285 cm^3
• Polarizability: 11.965094 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.971

Product Information

• Purity: 95%