piperazine-1-carboximidamide

• ChemBase ID: 90498
• Molecular Formular: C5H12N4
• Molecular Mass: 128.17558
• Monoisotopic Mass: 128.1061964
• SMILES: N1CCN(CC1)C(=N)N
• Canonical SMILES: NC(=N)N1CCNCC1
• InChI: InChI=1S/C5H12N4/c6-5(7)9-3-1-8-2-4-9/h8H,1-4H2,(H3,6,7)
• InChIKey: ZTWBXCGKRKUYSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperazine-1-carboximidamide
• IUPAC Traditional name: piperazine-1-carboximidamide
• Synonyms: Piperazine-1-carboximidamide; Piperazine-1-carboxamidine; piperazine-1-carboximidamide

Database IDs

• CAS Number: 45695-84-9
• PubChem SID: 162077296
• PubChem CID: 2760424

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.78714
• LogD (pH = 7.4): -4.104696
• Log P: -1.233182
• Molar Refractivity: 46.6835 cm^3
• Polarizability: 13.744519 Å^3
• Polar Surface Area: 65.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 98%