Isobutyramide
Basic information
- CAS
563-83-7- Standard SMILES
CC(C)C(N)=O- InChIKey
WFKAJVHLWXSISD-UHFFFAOYSA-N- Molecular formula
- C4H9NO
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.06841391
Overview
Isobutyramide is a carboximidic acid.
Names & identifiers
- Preferred name
- Isobutyramide
- IUPAC
- 2-methylpropanamide
- English name
- 2-Methylpropanamide
- Molecular formula
- C4H9NO
- Molecular weight
- 87.12036
Names & synonyms
Isobutyramide563-83-72-Methylpropanamide2-MethylpropionamidePropanamide, 2-methyl-Isobutyrimidic acidIsobutylamideNSC-842382UOE7B38ZDTXSID1060340RefChem:149119DTXCID8042054
Show more names
209-265-9IsopropylformamidedimethylacetoamideMFCD00008019NSC 84232-methyl-propanamideisobutyric acid amideNSC8423
Database identifiers
- CAS
563-83-7- PubChem CID
- 68424
- DTXSID
DTXSID1060340- ChEMBL
CHEMBL352219- ChEBI
CHEBI:193555- UNII
- 82UOE7B38Z
- EC Number
- 209-265-9
- Nikkaji
- J2.672G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 58.6
Experimental & physicochemical properties
SolventsSolvents -> Amides (<C10)
SpringerMaterials PropertiesBoiling point
Physical DescriptionPowder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 218 °C · 218 °C
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
- pka
- 16.6 · 16.60±0.50(Predicted)
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.
Warning
H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See n-Butylamide.
Hazard Classes and CategoriesAcute Tox. 4 (90.9%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Uses & manufacturing
General Manufacturing InformationPropanamide, 2-methyl-: ACTIVE
Related reactions
80 records
Compound notes
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