(Z)-N'-cyanocycloprop-1-carboximidamide

• ChemBase ID: 58160
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: C1C(C1)/C(=N/C#N)/N
• Canonical SMILES: N#C/N=C(/C1CC1)\N
• InChI: InChI=1S/C5H7N3/c6-3-8-5(7)4-1-2-4/h4H,1-2H2,(H2,7,8)
• InChIKey: YMNZYWAFGJXJIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N'-cyanocycloprop-1-carboximidamide
• IUPAC Traditional name: (Z)-N'-cyanocycloprop-1-carboximidamide
• Synonyms: N'-Cyanocyclopropanecarboximidamide

Database IDs

• CAS Number: 1211577-53-5
• MDL Number: MFCD15146423
• PubChem SID: 162062923
• PubChem CID: 46318293

CALCULATED PROPERTIES

• Acid pKa: 19.388504
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.05300365
• LogD (pH = 7.4): 0.022475548
• Log P: 0.023528636
• Molar Refractivity: 29.8999 cm^3
• Polarizability: 10.93854 Å^3
• Polar Surface Area: 62.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false