4-(2-chlorophenyl)piperazine-1-carboximidamide hydroiodide

• ChemBase ID: 101798
• Molecular Formular: C11H16ClIN4
• Molecular Mass: 366.62901
• Monoisotopic Mass: 366.01082221
• SMILES: C(=N)(N1CCN(c2c(Cl)cccc2)CC1)N.I
• Canonical SMILES: NC(=N)N1CCN(CC1)c1ccccc1Cl.I
• InChI: InChI=1S/C11H15ClN4.HI/c12-9-3-1-2-4-10(9)15-5-7-16(8-6-15)11(13)14;/h1-4H,5-8H2,(H3,13,14);1H
• InChIKey: BYKDWRMBBKXNMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chlorophenyl)piperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-(2-chlorophenyl)piperazine-1-carboximidamide hydroiodide
• Synonyms: 4-(2-chlorophenyl)piperazine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 852228-16-1
• MDL Number: MFCD07368566
• PubChem SID: 162088977
• PubChem CID: 18525932

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.77038753
• LogD (pH = 7.4): -0.76721364
• Log P: 1.6450309
• Molar Refractivity: 77.2815 cm^3
• Polarizability: 24.824186 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%