4-methylpiperazine-1-carboximidamide hydroiodide

• ChemBase ID: 101759
• Molecular Formular: C6H15IN4
• Molecular Mass: 270.11457
• Monoisotopic Mass: 270.0341445
• SMILES: C(=N)(N1CCN(CC1)C)N.I
• Canonical SMILES: CN1CCN(CC1)C(=N)N.I
• InChI: InChI=1S/C6H14N4.HI/c1-9-2-4-10(5-3-9)6(7)8;/h2-5H2,1H3,(H3,7,8);1H
• InChIKey: KESCAEZAONDSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpiperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-methylpiperazine-1-carboximidamide hydroiodide
• Synonyms: 4-methyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide

Database IDs

• CAS Number: 77723-03-6
• MDL Number: MFCD09025920
• PubChem SID: 162087630
• PubChem CID: 20284359

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.4385734
• LogD (pH = 7.4): -3.3349705
• Log P: -0.85013396
• Molar Refractivity: 51.9782 cm^3
• Polarizability: 15.581526 Å^3
• Polar Surface Area: 56.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%