2-methylbutanimidamide hydrochloride

• ChemBase ID: 263585
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: C(=N)(N)C(CC)C.Cl
• Canonical SMILES: CC(C(=N)N)CC.Cl
• InChI: InChI=1S/C5H12N2.ClH/c1-3-4(2)5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
• InChIKey: CFHVEVRMGCQLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbutanimidamide hydrochloride
• IUPAC Traditional name: 2-methylbutanimidamide hydrochloride
• Synonyms: 2-methylbutanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09910335
• PubChem SID: 164319495
• PubChem CID: 13548604

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6878233
• LogD (pH = 7.4): -1.687439
• Log P: 0.7276306
• Molar Refractivity: 40.8624 cm^3
• Polarizability: 11.801808 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.143

Product Information

• Purity: 95%