2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride

• ChemBase ID: 243131
• Molecular Formular: C4H12Cl2N4
• Molecular Mass: 187.07088
• Monoisotopic Mass: 186.04390176
• SMILES: C1(=NC(CN1)C)NN.Cl.Cl
• Canonical SMILES: NNC1=NC(CN1)C.Cl.Cl
• InChI: InChI=1S/C4H10N4.2ClH/c1-3-2-6-4(7-3)8-5;;/h3H,2,5H2,1H3,(H2,6,7,8);2*1H
• InChIKey: HJYNDAXPUIYLQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride
• IUPAC Traditional name: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride
• Synonyms: 2-hydrazinyl-4-methyl-4,5-dihydro-1H-imidazole dihydrochloride

Database IDs

• PubChem SID: 164299041
• PubChem CID: 20348557

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.176454
• LogD (pH = 7.4): -3.1192594
• Log P: -0.72214586
• Molar Refractivity: 42.5419 cm^3
• Polarizability: 11.813872 Å^3
• Polar Surface Area: 62.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 165 - 167°C
• Hydrophobicity(logP): -1.208

Product Information

• Purity: 95%