hydrogen 4-chlorobenzene-1-carboximidamide chloride

• ChemBase ID: 293881
• Molecular Formular: C7H7Cl2N2-
• Molecular Mass: 190.04988
• Monoisotopic Mass: 188.99862859
• SMILES: c1c(C(=N)N)ccc(c1)Cl.[Cl-]
• Canonical SMILES: NC(=N)c1ccc(cc1)Cl.[Cl-]
• InChI: InChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H/p-1
• InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 4-chlorobenzene-1-carboximidamide chloride
• IUPAC Traditional name: hydrogen chlorophenamidine chloride
• Synonyms: 4-Chlorobenzene-1-carboximidamide hydrochloride

Database IDs

• CAS Number: 14401-51-5
• MDL Number: MFCD00126401
• PubChem SID: 180679412
• PubChem CID: 67031666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.917544
• LogD (pH = 7.4): -0.9054954
• Log P: 1.497759
• Molar Refractivity: 52.5353 cm^3
• Polarizability: 15.886346 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%