(E)-N-cyano-N'-phenylmethanimidamide

• ChemBase ID: 290085
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: N#CN/C=N/c1ccccc1
• Canonical SMILES: N#CN/C=N/c1ccccc1
• InChI: InChI=1S/C8H7N3/c9-6-10-7-11-8-4-2-1-3-5-8/h1-5,7H,(H,10,11)
• InChIKey: GDTFNMGXZLJVEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-cyano-N'-phenylmethanimidamide
• IUPAC Traditional name: (E)-N-cyano-N'-phenylmethanimidamide
• Synonyms: N-Cyano-N'-phenylformimidamide

Database IDs

• CAS Number: 59425-37-5
• MDL Number: MFCD08461771
• PubChem SID: 180675616
• PubChem CID: 318808

CALCULATED PROPERTIES

• Acid pKa: 19.188063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.10306039
• LogD (pH = 7.4): 1.1197677
• Log P: 1.2980641
• Molar Refractivity: 44.5766 cm^3
• Polarizability: 15.692582 Å^3
• Polar Surface Area: 48.18 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%