Basic information
- CAS
42772-51-0- Standard SMILES
C=CC(=O)N(CO)C(C)(C)CC(C)=O- InChIKey
WNUPGDZWJCHVAF-UHFFFAOYSA-N- Molecular formula
- C10H17NO3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.1208434
Names & identifiers
- Preferred name
- 2-Propenamide, N-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)-
- IUPAC
- N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
- English name
- Hydroxymethyldiacetoneacrylamide
- Molecular formula
- C10H17NO3
- Molecular weight
- 199.25
Names & synonyms
42772-51-02-Propenamide, N-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)-Hydroxymethyl diacetone acrylamideEINECS 255-936-4DTXSID8068416RefChem:89212DTXCID7040158N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)prop-2-enamideKE6S8LQ48RSCHEMBL2200509N-(1,1-Dimethyl-3-oxobutyl)-N-(hydroxymethyl)acrylamideWNUPGDZWJCHVAF-UHFFFAOYSA-N
Show more names
HydroxymethyldiacetoneacrylamideHydroxymethyldiacetoneacrylamide55%inwaterN-(1,1-Dimethyl-3-oxobutyl)-N-(hydroxymethyl)propenamide
AKOS006273312NS00031237N-(1,1-Dimethyl-3-oxobutyl)-N-(hydroxymethyl)-2-propenamide
Database identifiers
- CAS
42772-51-0- PubChem CID
- 170682
- DTXSID
DTXSID8068416- UNII
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 366.7 · 366.7±27.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.10(Predicted)
- FDA UNII
- 6 S8LQ48R · KE6S8LQ48R
- EPA Substance Registry System
- 2 · 2-Propenamide, N-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)- (42772-51-0)
- 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-(1,1-dimethyl-3-oxobutyl)-N-(hydroxymethyl)-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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