1-(4-chlorophenyl)guanidine hydrochloride

• ChemBase ID: 105315
• Molecular Formular: C7H9Cl2N3
• Molecular Mass: 206.07246
• Monoisotopic Mass: 205.01735266
• SMILES: Cl.NC(=N)Nc1ccc(Cl)cc1
• Canonical SMILES: NC(=N)Nc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C7H8ClN3.ClH/c8-5-1-3-6(4-2-5)11-7(9)10;/h1-4H,(H4,9,10,11);1H
• InChIKey: RMFZXBDENVVLSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)guanidine hydrochloride
• IUPAC Traditional name: 1-(4-chlorophenyl)guanidine hydrochloride
• Synonyms: 4-CHLOROPHENYLGUANIDINE HYDROCHLORIDE

Database IDs

• PubChem SID: 162105892
• PubChem CID: 44134626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.8620986
• LogD (pH = 7.4): -0.72423476
• Log P: 1.5512835
• Molar Refractivity: 56.9966 cm^3
• Polarizability: 17.035418 Å^3
• Polar Surface Area: 61.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02159752

Hydrochloride
Specific inhibitor of Urokinase.