N-cyano-N'-methylethanimidamide

• ChemBase ID: 812298
• Molecular Formular: C4H7N3
• Molecular Mass: 97.11848
• Monoisotopic Mass: 97.06399724
• SMILES: C(=NC)(C)NC#N
• Canonical SMILES: CC(=NC)NC#N
• InChI: InChI=1S/C4H7N3/c1-4(6-2)7-3-5/h1-2H3,(H,6,7)
• InChIKey: HGUZMABFJZHYJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyano-N'-methylethanimidamide
• IUPAC Traditional name: N-cyano-N'-methylethanimidamide
• Synonyms: N-CYANO-N'-METHYL-ETHANIMIDAMIDE

Database IDs

• CAS Number: 56563-12-3

CALCULATED PROPERTIES

• Acid pKa: 19.36933
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7726726
• LogD (pH = 7.4): -0.48393777
• Log P: -0.4786582
• Molar Refractivity: 27.2753 cm^3
• Polarizability: 9.822308 Å^3
• Polar Surface Area: 48.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%