2-(dimethylhydrazin-1-ylidene)acetaldehyde

• ChemBase ID: 142664
• Molecular Formular: C4H8N2O
• Molecular Mass: 100.11912
• Monoisotopic Mass: 100.06366289
• SMILES: CN(C)/N=C/C=O
• Canonical SMILES: O=C/C=N/N(C)C
• InChI: InChI=1S/C4H8N2O/c1-6(2)5-3-4-7/h3-4H,1-2H3
• InChIKey: WJYMBVJBSFMDLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylhydrazin-1-ylidene)acetaldehyde
• IUPAC Traditional name: 2-(dimethylhydrazin-1-ylidene)acetaldehyde
• Synonyms: (Dimethylhydrazono)acetaldehyde; Glyoxal mono-dimethylhydrazone; (二甲基亚肼基)乙醛; 乙二醛单-二甲基腙

Database IDs

• CAS Number: 62506-63-2
• MDL Number: MFCD11656047
• Beilstein Number: 1922146
• PubChem SID: 162236890
• PubChem CID: 10866266

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.12169102
• LogD (pH = 7.4): -0.12164315
• Log P: -0.12164254
• Molar Refractivity: 27.7119 cm^3
• Polarizability: 10.338563 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.5% (GC); 97%
• Empirical Formula (Hill Notation): C4H8N2O

DETAILS

Sigma Aldrich - 690201

Packaging
1, 5 g in glass bottle