(4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
Basic information
- CAS
112791-04-5- Standard SMILES
C[C@@H]1[C@H](c2ccccc2)NC(=O)N1C- InChIKey
BGPAZBKCZVVZGF-PSASIEDQSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- (4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
- IUPAC
- (4S,5R)-1,5-dimethyl-4-phenylimidazolidin-2-one
- English name
- (4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
- Molecular formula
- C11H14N2O
- Molecular weight
- 190.24
Names & synonyms
112791-04-5(4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinoneDTXSID40426129RefChem:209269DTXCID90376963(4S,5R)-1,5-dimethyl-4-phenylimidazolidin-2-oneSCHEMBL2370396BGPAZBKCZVVZGF-PSASIEDQSA-NAKOS022180075(4R,5S)-1,5-Dimethyl-4-phenylimidazolidinone(4R,5S)-3,4-dimethyl-5-phenyl-imidazolidin-2-one(4R, 5S)-3,4-dimethyl-5-phenyl-imidazolidin-2-one
Show more names
(4S 5R)-(+)-1 5-DIMETHYL-4-PHENYL- &(4S 5R)-1 5-DIMETHYL-4-PHENYL-2-IMIDAZOLIDONE2-Imidazolidinone, 1,5-dimethyl-4-phenyl-, (4S,5R)-(4S,5R)-(+)-1,5-DiMethyl-4-phenyl-2-iMidazolidinone,97%
(4S,5R)-(+)-1,5-Dimethyl-4-phenyl-2-imidazolidinone, 97%
Database identifiers
- CAS
112791-04-5- PubChem CID
- 6931393
- DTXSID
DTXSID40426129- Nikkaji
- J557.539G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 173 · 173-176 °C(lit.)
- Boiling point
- 335.9 · 335.9±17.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.60(Predicted)
- optical activity
- 20 · [α]20/D +45°, c = 1 in methanol
- BRN
- 4905832 · 4905832
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 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.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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