butanimidamide hydrochloride

• ChemBase ID: 263847
• Molecular Formular: C4H11ClN2
• Molecular Mass: 122.59654
• Monoisotopic Mass: 122.06107604
• SMILES: C(=N)(N)CCC.Cl
• Canonical SMILES: CCCC(=N)N.Cl
• InChI: InChI=1S/C4H10N2.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
• InChIKey: STYCVEYASXULRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butanimidamide hydrochloride
• IUPAC Traditional name: butyramidine, hydrochloride hydrochloride
• Synonyms: butanimidamide hydrochloride

Database IDs

• MDL Number: MFCD00054341
• PubChem SID: 164319757
• PubChem CID: 12828983

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.23081
• LogD (pH = 7.4): -2.2304475
• Log P: 0.18464437
• Molar Refractivity: 36.2879 cm^3
• Polarizability: 9.959052 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 107 - 109°C
• Hydrophobicity(logP): -0.166

Product Information

• Purity: 95%