1-(cyclopropylmethyl)-1H-imidazol-2-amine hydrochloride

• ChemBase ID: 264285
• Molecular Formular: C7H12ClN3
• Molecular Mass: 173.64328
• Monoisotopic Mass: 173.07197508
• SMILES: c1(n(CC2CC2)ccn1)N.Cl
• Canonical SMILES: Nc1nccn1CC1CC1.Cl
• InChI: InChI=1S/C7H11N3.ClH/c8-7-9-3-4-10(7)5-6-1-2-6;/h3-4,6H,1-2,5H2,(H2,8,9);1H
• InChIKey: WMGWUCDSRVQJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-1H-imidazol-2-amine hydrochloride
• IUPAC Traditional name: 1-(cyclopropylmethyl)imidazol-2-amine hydrochloride
• Synonyms: 1-(cyclopropylmethyl)-1H-imidazol-2-amine hydrochloride

Database IDs

• MDL Number: MFCD13196302
• PubChem SID: 164320195
• PubChem CID: 45792538

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3587585
• LogD (pH = 7.4): -0.2842437
• Log P: 0.7143532
• Molar Refractivity: 40.0252 cm^3
• Polarizability: 14.838453 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): 0.675

Product Information

• Purity: 95%