3-chlorobenzene-1-carboximidamide hydrochloride

• ChemBase ID: 30511
• Molecular Formular: C7H8Cl2N2
• Molecular Mass: 191.05782
• Monoisotopic Mass: 190.00645363
• SMILES: C(=N)(c1cc(Cl)ccc1)N.Cl
• Canonical SMILES: Clc1cccc(c1)C(=N)N.Cl
• InChI: InChI=1S/C7H7ClN2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H3,9,10);1H
• InChIKey: KWDHABCUIIRLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chlorobenzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 3-chlorobenzenecarboximidamide hydrochloride
• Synonyms: 3-Chloro-benzamidine hydrochloride; 3-chlorobenzene-1-carboximidamide hydrochloride; 3-CHLOR-BENZAMIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 24095-60-1
• MDL Number: MFCD00276754
• PubChem SID: 160993818
• PubChem CID: 13165334

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.91741735
• LogD (pH = 7.4): -0.8958191
• Log P: 1.497759
• Molar Refractivity: 52.5353 cm^3
• Polarizability: 15.88656 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.512

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%