Isobutyramide

HCID 68424CAS 563-83-7
Substructure searchFind similar structures

Basic information

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

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

GHS classification

GHS Classification · 5 items

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

80 records
New reaction record

Linked notes

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