Acetic acid 2,6-dimethoxy-4-((pyrazine-2-carbonyl)-hydrazonomethyl)-phenyl ester
Basic information
- CAS
304908-34-7- Standard SMILES
COc1cc(/C=N/NC(=O)c2cnccn2)cc(OC)c1OC(C)=O- InChIKey
SNYGZNAIIXDTJQ-UFWORHAWSA-N- Molecular formula
- C16H16N4O5
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.11206962
Names & identifiers
- Preferred name
- Acetic acid 2,6-dimethoxy-4-((pyrazine-2-carbonyl)-hydrazonomethyl)-phenyl ester
- IUPAC
- [2,6-dimethoxy-4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] acetate
- English name
- 2,6-dimethoxy-4-{(Z)-[2-(pyrazin-2-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate
- Molecular formula
- C16H16N4O5
- Molecular weight
- 344.32
Names & synonyms
304908-34-7ACETIC ACID 2,6-DIMETHOXY-4-((PYRAZINE-2-CARBONYL)-HYDRAZONOMETHYL)-PHENYL ESTERAKOS030515590(E)-2,6-dimethoxy-4-((2-(pyrazine-2-carbonyl)hydrazono)methyl)phenyl acetate2,6-dimethoxy-4-{(Z)-[2-(pyrazin-2-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate2-Pyrazinecarboxylic acid, 2-[[4-(acetyloxy)-3,5-dimethoxyphenyl]methylene]hydrazide
Database identifiers
- CAS
304908-34-7- PubChem CID
- 5726164
- EC Number
- 161-929-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Density
- 1.307 · 1.307±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.294 · 10.294±0.46(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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