2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile
Basic information
- CAS
40380-36-7- Standard SMILES
Cc1n[nH]c(=O)c(C#N)c1C- InChIKey
WNSUWBPFLAQCMF-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891186
Overview
lipolytic agent
Names & identifiers
- Preferred name
- 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile
- IUPAC
- 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile
- English name
- 5,6-dimethyl-3-oxo-2H-pyridazine-4-carbonitrile
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
40380-36-74-Pyridazinecarbonitrile, 2,3-dihydro-5,6-dimethyl-3-oxo-XWO4UMV6Z12,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrileNSC-338208DTXSID90193374RefChem:81697DTXCID001158655,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile3-hydroxy-5,6-dimethylpyridazine-4-carbonitrile5,6-dimethyl-3-oxo-2H-pyridazine-4-carbonitrile
Show more names
4-cyano-5,6-dimethylpyridazin-3(2H)-one5,6-dimethyl-3-oxo-2H-pyridazine-4-carbonitrile - [AC79891]
MFCD14586541NSC338208NSC 338208UNII-XWO4UMV6Z1SCHEMBL7877224HMS1732G11QBA38036MFCD01438496
Database identifiers
- CAS
40380-36-7- PubChem CID
- 100645
- DTXSID
DTXSID90193374- UNII
- XWO4UMV6Z1
- EC Number
- 899-821-2
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 210 · 210-211 °C
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 9.51 · 9.51±0.70(Predicted)
- FDA UNII
- 4 UMV6Z1 · XWO4UMV6Z1
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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%)
Chemistry & industry
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