N'-ethylidene-N-methylformohydrazide

• ChemBase ID: 127639
• Molecular Formular: C4H8N2O
• Molecular Mass: 100.11912
• Monoisotopic Mass: 100.06366289
• SMILES: C/C=N/N(C)C=O
• Canonical SMILES: C/C=N/N(C=O)C
• InChI: InChI=1S/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3
• InChIKey: IMAGWKUTFZRWSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-ethylidene-N-methylformohydrazide
• IUPAC Traditional name: gyromitrin
• Synonyms: Acetaldehyde methylformylhydrazone; Formic acid 2-ethylidene-1-methylhydrazide; Gyromitrin

Database IDs

• CAS Number: 16568-02-8
• Beilstein Number: 1922396
• PubChem SID: 162221957
• PubChem CID: 9548611; 27932
• CHEBI ID: 5583
• Chemspider ID: 25985
• KEGG ID: C08305
• MeSH Name: Gyromitrin
• Wikipedia Title: Gyromitrin

CALCULATED PROPERTIES

• Acid pKa: 19.980675
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7842966
• LogD (pH = 7.4): -0.7837791
• Log P: -0.78377247
• Molar Refractivity: 27.0475 cm^3
• Polarizability: 10.060424 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 143°C

Safety Information

• Safety Statements: R
• Main Hazard: Toxic