4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide

• ChemBase ID: 77394
• Molecular Formular: C10H16IN5
• Molecular Mass: 333.17201
• Monoisotopic Mass: 333.04504354
• SMILES: N1(c2ncccc2)CCN(CC1)C(=N)N.I
• Canonical SMILES: NC(=N)N1CCN(CC1)c1ccccn1.I
• InChI: InChI=1S/C10H15N5.HI/c11-10(12)15-7-5-14(6-8-15)9-3-1-2-4-13-9;/h1-4H,5-8H2,(H3,11,12);1H
• InChIKey: HCOLFNZFEHSASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide
• IUPAC Traditional name: 4-(pyridin-2-yl)piperazine-1-carboximidamide hydroiodide
• Synonyms: 4-(Pyridin-2-yl)piperazine-1-carboximidamide hydroiodide; 4-pyridin-2-ylpiperazine-1-carboximidamide hydroiodide

Database IDs

• CAS Number: 849776-32-5
• MDL Number: MFCD06797506
• PubChem SID: 162042267
• PubChem CID: 18525926

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.3006542
• LogD (pH = 7.4): -2.0011923
• Log P: 0.41777134
• Molar Refractivity: 70.6333 cm^3
• Polarizability: 22.05019 Å^3
• Polar Surface Area: 69.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%