2-chloropropanimidamide hydrochloride

• ChemBase ID: 237706
• Molecular Formular: C3H8Cl2N2
• Molecular Mass: 143.01502
• Monoisotopic Mass: 142.00645363
• SMILES: C(=N)(C(Cl)C)N.Cl
• Canonical SMILES: CC(C(=N)N)Cl.Cl
• InChI: InChI=1S/C3H7ClN2.ClH/c1-2(4)3(5)6;/h2H,1H3,(H3,5,6);1H
• InChIKey: SXDGVDZRPQLVQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375249
• PubChem SID: 164293616
• PubChem CID: 71755989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2669635
• LogD (pH = 7.4): -2.0875454
• Log P: 0.1456479
• Molar Refractivity: 36.3071 cm^3
• Polarizability: 9.993581 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -0.582

Product Information

• Purity: 95%