(E)-N'-cyanoethenimidamide

• ChemBase ID: 255771
• Molecular Formular: C3H5N3
• Molecular Mass: 83.0919
• Monoisotopic Mass: 83.04834718
• SMILES: C(#N)/N=C(/N)\C
• Canonical SMILES: C/C(=N\C#N)/N
• InChI: InChI=1S/C3H5N3/c1-3(5)6-2-4/h1H3,(H2,5,6)
• InChIKey: KKZFHAKALPLYLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-cyanoethenimidamide
• IUPAC Traditional name: (E)-N'-cyanoethenimidamide
• Synonyms: N'-cyanoethanimidamide

Database IDs

• MDL Number: MFCD00461488
• PubChem SID: 164311681
• PubChem CID: 535770

CALCULATED PROPERTIES

• Acid pKa: 19.362549
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.86148065
• LogD (pH = 7.4): -0.75776535
• Log P: -0.7562676
• Molar Refractivity: 22.5007 cm^3
• Polarizability: 7.995171 Å^3
• Polar Surface Area: 62.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.624

Product Information

• Purity: 95%