2-Propenamide, N-[3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]-
Basic information
- CAS
68966-35-8- Standard SMILES
C=CC(=O)NC(C)(C)C(CO)(CO)C(C)O- InChIKey
CPQILPVJBOJVJC-UHFFFAOYSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- 2-Propenamide, N-[3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]-
- IUPAC
- N-[4-hydroxy-3,3-bis(hydroxymethyl)-2-methylpentan-2-yl]prop-2-enamide
- English name
- N-[3-Hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]propenamide
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
2-Propenamide, N-(3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl)-DTXSID208876332-Propenamide, N-[3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]-RefChem:478851DTXCID50102692168966-35-8N-[4-hydroxy-3,3-bis(hydroxymethyl)-2-methylpentan-2-yl]prop-2-enamideCPQILPVJBOJVJC-UHFFFAOYSA-NN-[3-Hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]propenamide
Database identifiers
- CAS
68966-35-8- PubChem CID
- 111485
- DTXSID
DTXSID20887633- Nikkaji
- J441.277J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Propenamide, N-[3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]- (68966-35-8)
- 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-Propenamide, N-[3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl]-: INACTIVE
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Compound notes
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