Basic information
- CAS
89641-61-2- Standard SMILES
O=C(CCl)N1CCN(CO)C1=O- InChIKey
CBAHHPWHIVELRJ-UHFFFAOYSA-N- Molecular formula
- C6H9ClN2O3
- Average molar mass
- 192.6 g/mol
- Monoisotopic mass
- 192.0301698
Names & identifiers
- Preferred name
- 1-(Chloroacetyl)-3-(hydroxymethyl)imidazolidin-2-one
- IUPAC
- 1-(2-chloroacetyl)-3-(hydroxymethyl)imidazolidin-2-one
- English name
- 2-Imidazolidinone, 1-(chloroacetyl)-3-(hydroxymethyl)- (7CI)
- Molecular formula
- C6H9ClN2O3
- Molecular weight
- 192.6
Names & synonyms
89641-61-21-(Chloroacetyl)-3-(hydroxymethyl)imidazolidin-2-oneDTXSID20664183DB-2705242-IMIDAZOLIDINONE, 1-(CHLOROACETYL)-3-(HYDROXYMETHYL)-2-Imidazolidinone, 1-(2-chloroacetyl)-3-(hydroxymethyl)-2-Imidazolidinone, 1-(chloroacetyl)-3-(hydroxymethyl)- (7CI)
Database identifiers
- CAS
89641-61-2- PubChem CID
- 45080902
- DTXSID
DTXSID20664183
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 309.2 · 309.2±52.0 °C(Predicted)
- Density
- 1.498 · 1.498±0.06 g/cm3(Predicted)
- pka
- 14.5 · 14.50±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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