2,3-dihydro-1H-perimidin-2-one
Basic information
- CAS
5157-11-9- Standard SMILES
O=C1Nc2cccc3cccc(c23)N1- InChIKey
NKEWBOPVULFSFJ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.06366288
Names & identifiers
- Preferred name
- 2,3-dihydro-1H-perimidin-2-one
- IUPAC
- 1,3-dihydroperimidin-2-one
- English name
- 1,3-Dihydro-2H-perimidine-2-one
- Molecular formula
- C11H8N2O
- Molecular weight
- 184.19
Names & synonyms
2,3-Dihydro-1H-perimidin-2-oneRefChem:442276856-401-31H-Perimidin-2(3H)-one5157-11-91,3-dihydroperimidin-2-one1,3-Dihydro-2H-perimidine-2-oneperimidone2-perimidone2-hydroxyperimidine1H-perimidine-2-oneOprea1_590217
Show more names
SCHEMBL1268566SCHEMBL4199390SCHEMBL6527367SCHEMBL29412557DTXSID20401196NKEWBOPVULFSFJ-UHFFFAOYSA-NAKOS009270819CS-0248297
Database identifiers
- CAS
5157-11-9- PubChem CID
- 4247789
- DTXSID
DTXSID20401196- EC Number
- 856-401-3
- Nikkaji
- J13.632H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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