2-Imidazolidinone, 1-octadecyl-
Basic information
- CAS
4991-32-6- Standard SMILES
CCCCCCCCCCCCCCCCCCN1CCNC1=O- InChIKey
BTHOZYQLVNAFEX-UHFFFAOYSA-N- Molecular formula
- C21H42N2O
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 338.32971397
Names & identifiers
- Preferred name
- 2-Imidazolidinone, 1-octadecyl-
- IUPAC
- 1-octadecylimidazolidin-2-one
- English name
- 1-Octadecyl-2-imidazolidinone
- Molecular formula
- C21H42N2O
- Molecular weight
- 338.57
Names & synonyms
2-Imidazolidinone, 1-octadecyl-4991-32-6DTXSID9063669RefChem:473541DTXCID00407591-octadecylimidazolidin-2-one1-Octadecyl-2-imidazolidinoneSCHEMBL6269938BTHOZYQLVNAFEX-UHFFFAOYSA-NNS00120523
Database identifiers
- CAS
4991-32-6- PubChem CID
- 78689
- DTXSID
DTXSID9063669- Nikkaji
- J421.771C
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 486.2 · 486.2±12.0 °C(Predicted)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Imidazolidinone, 1-octadecyl- (4991-32-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Imidazolidinone, 1-octadecyl-: INACTIVE
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Compound notes
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