4-acetylpiperazine-1-carboximidamide

• ChemBase ID: 799604
• Molecular Formular: C7H14N4O
• Molecular Mass: 170.21226
• Monoisotopic Mass: 170.11676109
• SMILES: C1CN(CCN1C(=N)N)C(=O)C
• Canonical SMILES: NC(=N)N1CCN(CC1)C(=O)C
• InChI: InChI=1S/C7H14N4O/c1-6(12)10-2-4-11(5-3-10)7(8)9/h2-5H2,1H3,(H3,8,9)
• InChIKey: DJMUBYMCDJLVJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-acetylpiperazine-1-carboximidamide
• IUPAC Traditional name: 4-acetylpiperazine-1-carboximidamide
• Synonyms: 4-acetylpiperazine-1-carboximidamide

Database IDs

• CAS Number: 62122-70-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.038681
• 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

Product Information

• Purity: 98%