4-aminobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 179996
• Molecular Formular: C7H10ClN3
• Molecular Mass: 171.6274
• Monoisotopic Mass: 171.05632502
• SMILES: C(=N)(c1ccc(cc1)N)N.Cl
• Canonical SMILES: Nc1ccc(cc1)C(=N)N.Cl
• InChI: InChI=1S/C7H9N3.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H3,9,10);1H
• InChIKey: YAVZGKYMGKLGFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-aminobenzamidine hydrochloride
• Synonyms: 4-Aminobenzamidine HCl; 4-AMinobenzaMidine hydrochloride

Database IDs

• CAS Number: 2498-50-2; 7761-72-0
• PubChem SID: 164235906
• PubChem CID: 122765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.3512337
• LogD (pH = 7.4): -2.349922
• Log P: 0.064788334
• Molar Refractivity: 52.4309 cm^3
• Polarizability: 15.158364 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%