CHEBI:46643 - isobutyl nitrite

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isobutyl nitrite
ChEBI ID CHEBI:46643
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C4H9NO2
Net Charge 0
Average Mass 103.11980
Monoisotopic Mass 103.063
InChI InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3
InChIKey APNSGVMLAYLYCT-UHFFFAOYSA-N
SMILES CC(C)CON=O
ChEBI Ontology
Outgoing isobutyl nitrite (CHEBI:46643) has functional parent isobutanol (CHEBI:46645)
isobutyl nitrite (CHEBI:46643) is a nitrite esters (CHEBI:46649)
IUPAC Names
2-methylpropyl nitrite
isobutyl nitrite
Synonyms Sources
IBN ChemIDplus
Isobutylnitrit ChEBI
nitrous acid, 2-methylpropyl ester NIST Chemistry WebBook
nitrous acid, isobutyl ester NIST Chemistry WebBook
Registry Numbers Types Sources
164413 Gmelin Registry Number Gmelin
1699518 Beilstein Registry Number ChemIDplus
542-56-3 CAS Registry Number ChemIDplus
542-56-3 CAS Registry Number NIST Chemistry WebBook
Last Modified
17 September 2007