3-Hydroxybutanamide
Basic information
- CAS
24311-45-3- Standard SMILES
CC(O)CC(N)=O- InChIKey
OOHIGOIEQKKEPK-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
HBA is a fatty amide.
Names & identifiers
- Preferred name
- 3-Hydroxybutanamide
- IUPAC
- 3-hydroxybutanamide
- English name
- 3-Hydroxybutyramide
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
3-hydroxybutanamide24311-45-3DTXSID20332052RefChem:94265DTXCID70283146869-147-3Butanamide, 3-hydroxy-3-hydroxybutyramide3-HydroxybutryamideMST8FZ57AFn -(1-hydroxyethyl)acetamideSCHEMBL115227
Show more names
SCHEMBL401258CHEBI:5588SCHEMBL1289822SCHEMBL1289844SCHEMBL6635975MFCD19159499AKOS006221172AS-92826
Database identifiers
- CAS
24311-45-3- PubChem CID
- 443074
- DTXSID
DTXSID20332052- ChEBI
CHEBI:5588- UNII
- MST8FZ57AF
- EC Number
- 869-147-3
- Nikkaji
- J26.751A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72.1
Physicochemical properties
- Melting point
- 99 · 99-100 °C
- Boiling point
- 315.9 · 315.9±25.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.83 · 14.83±0.20(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: HBA is a fatty amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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