4-benzylpiperazine-1-carboximidamide hydroiodide

• ChemBase ID: 101795
• Molecular Formular: C12H19IN4
• Molecular Mass: 346.21053
• Monoisotopic Mass: 346.06544463
• SMILES: C(=N)(N1CCN(Cc2ccccc2)CC1)N.I
• Canonical SMILES: NC(=N)N1CCN(CC1)Cc1ccccc1.I
• InChI: InChI=1S/C12H18N4.HI/c13-12(14)16-8-6-15(7-9-16)10-11-4-2-1-3-5-11;/h1-5H,6-10H2,(H3,13,14);1H
• InChIKey: CXQITJKGJPFOIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzylpiperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-benzylpiperazine-1-carboximidamide hydroiodide
• Synonyms: 4-benzylpiperazine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 852228-15-0
• MDL Number: MFCD09025921
• PubChem SID: 162088582
• PubChem CID: 18525929

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.76349
• LogD (pH = 7.4): -1.6174134
• Log P: 0.87433916
• Molar Refractivity: 76.5908 cm^3
• Polarizability: 25.17584 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%