3-(2-Oxoimidazolidin-1-yl)benzonitrile
Basic information
- CAS
62868-34-2- Standard SMILES
N#Cc1cccc(N2CCNC2=O)c1- InChIKey
UXXIHDNWWGDWOT-UHFFFAOYSA-N- Molecular formula
- C10H9N3O
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 187.07456192
Names & identifiers
- Preferred name
- 3-(2-Oxoimidazolidin-1-yl)benzonitrile
- IUPAC
- 3-(2-oxoimidazolidin-1-yl)benzonitrile
- English name
- 3-(2-oxo-imidazolidin-1-yl)-benzonitrile
- Molecular formula
- C10H9N3O
- Molecular weight
- 187.2
Names & synonyms
3-(2-oxoimidazolidin-1-yl)benzonitrile62868-34-23-(2-oxo-imidazolidin-1-yl)-benzonitrileSCHEMBL3951237DTXSID60466481UXXIHDNWWGDWOT-UHFFFAOYSA-NMCA86834AKOS018243359CS-0237496EN300-184445G42364Z1341383833
Show more names
Benzonitrile, 3-(2-oxo-1-imidazolidinyl)-
Database identifiers
- CAS
62868-34-2- PubChem CID
- 11458136
- DTXSID
DTXSID60466481- Nikkaji
- J1.415.271G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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