Acetylacetone imide
Basic information
- CAS
870-74-6- Standard SMILES
CC(=N)CC(C)=O- InChIKey
QISKERKMOGSCJB-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- Acetylacetone imide
- IUPAC
- 4-iminopentan-2-one
Names & synonyms
Acetylacetone imideRefChem:552474632-975-94-iminopentan-2-one870-74-6acetylacetonimine2-Pentanone, 4-imino-E3D6PC4RJF4-Imino-2-penten-2-olNSC-60211UNII-E3D6PC4RJFNSC 44500
Show more names
acetylacetone imineNSC60211SCHEMBL931541DTXSID30289301AKOS006275165
Database identifiers
- CAS
870-74-6- PubChem CID
- 246753
- DTXSID
DTXSID30289301- UNII
- E3D6PC4RJF
- EC Number
- 632-975-9
- Nikkaji
- J1.536.999J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 96.3
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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