chempirical

Isobutyramide

C4H9NOCAS 563-83-787.12 g/mol

Open in Covalent MOL file
NH2O

Properties

Molecular formula
C4H9NO
Molar mass
87.12 g/mol
Exact mass
87.0684 Da
Melting point
128 °C
Boiling point
218 °C
logP
1.18Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
563-83-7
SMILES
CC(C)C(=N)O
InChIKey
WFKAJVHLWXSISD-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)

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Names and synonyms

8 names
  • Propanamide, 2-methyl-
  • 2-Methylpropanamide
  • Isobutyrimidic acid
  • Isopropylformamide
  • Isobutanamide
  • 2-Methylpropionamide
  • VX 366
  • NSC 8423

Reactions

Work with Isobutyramide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lactamide2043-43-852 % similar L-Alaninamide hydrochloride33208-99-044 % similar 2,2-Difluoroacetamide359-38-643 % similar 2-Aminopropanediamide62009-47-643 % similar Cyclopropanecarboxamide6228-73-543 % similar Dichloroacetamide683-72-743 % similar (S)-2-Acetamidopropanamide15962-47-741 % similar Valpromide2430-27-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-3-Pyrrolidinol100243-39-8 (S)-3-Aminotetrahydrofuran104530-79-2 1-Aziridineethanol1072-52-2 Butyraldoxime110-69-0 Morpholine110-91-8 3-Methoxy-azetidine110925-17-2 (R)-3-Aminotetrahydrofuran111769-26-7 N-Methylpropionamide1187-58-2

Elsewhere

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