4-acetylpiperazine-1-carboximidamide hydroiodide

• ChemBase ID: 77436
• Molecular Formular: C7H15IN4O
• Molecular Mass: 298.12467
• Monoisotopic Mass: 298.02905912
• SMILES: N1(C(=O)C)CCN(C(=N)N)CC1.I
• Canonical SMILES: NC(=N)N1CCN(CC1)C(=O)C.I
• InChI: InChI=1S/C7H14N4O.HI/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H
• InChIKey: WGTZMPUYWAYGAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-acetylpiperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-acetylpiperazine-1-carboximidamide hydroiodide
• Synonyms: 4-acetyltetrahydro-1(2H)-pyrazinecarboximidamide hydroiodide; 4-Acetylpiperazine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 849776-26-7
• MDL Number: MFCD06797494
• PubChem SID: 162042308
• PubChem CID: 18525920

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.0386815
• LogD (pH = 7.4): -4.0373316
• Log P: -1.6232396
• Molar Refractivity: 56.2494 cm^3
• Polarizability: 17.148678 Å^3
• Polar Surface Area: 73.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229-230°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%