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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9NO
Molecular Weight 99.1311
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ISOCYANATE

SMILES

CCCCN=C=O

InChI

InChIKey=HNHVTXYLRVGMHD-UHFFFAOYSA-N
InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H9NO
Molecular Weight 99.1311
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Endovascular treatment of ruptured distal anterior cerebral artery aneurysm.
2010-05-29
Stereoselective inhibition of butyrylcholinesterase by enantiomers of exo- and endo-2-norbornyl-N-n-butylcarbamates.
2010-02
Synthesis of enantiomers of exo-2-norbornyl-N-n-butylcarbamate and endo-2-norbornyl-N-n-butylcarbamate for stereoselective inhibition of acetylcholinesterase.
2010-02
Mesoporous hybrid materials containing nanoscopic "binding pockets" for colorimetric anion signaling in water by using displacement assays.
2009-09-14
Toxic effects of carbendazim and n-butyl isocyanate, metabolites of the fungicide benomyl, on early development in the African clawed frog, Xenopus laevis.
2008-02
Butyl isocyanide as a probe of the activation mechanism of soluble guanylate cyclase. Investigating the role of non-heme nitric oxide.
2007-12-07
Formulation factors that can reduce the formation of the phytotoxic impurity, N,N'-dibutylurea, from benomyl.
2007-07
Validation of a solvent-free sampler for the determination of low molecular weight aliphatic isocyanates under thermal degradation conditions.
2005-09
A laboratory investigation of the effectiveness of various skin and surface decontaminants for aliphatic polyisocyanates.
2005-07
Synthesis of novel N-alkyl carbamates of a-substituted amides of g-hydroxybutyric acid as potential acetylcholinesterase inhibitors.
2004-12
Assessing N,N'-Dibutylurea (DBU) formation in soils after application of n-butylisocyanate and benlate fungicides.
2004-02-25
Biodegradation of poly(epsilon-caprolactone)/starch blends and composites in composting and culture environments: the effect of compatibilization on the inherent biodegradability of the host polymer.
2003-08-12
Complexation-induced unfolding of heterocyclic ureas. Simple foldamers equilibrate with multiply hydrogen-bonded sheetlike structures.
2001-10-31
Use of hexyl isocyanate antigen to detect antibodies to hexamethylene diisocyanate (HDI) in sensitized guinea pigs and in a sensitized worker.
1982-05-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:54:20 GMT 2025
Edited
by admin
on Mon Mar 31 18:54:20 GMT 2025
Record UNII
XM89T89J3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL ISOCYANATE
MI  
Systematic Name English
N-BUTYL ISOCYANATE
HSDB  
Preferred Name English
ISOCYANIC ACID BUTYL ESTER
Systematic Name English
BUTYL ISOCYANATE [MI]
Common Name English
BUTANE, 1-ISOCYANATO-
Systematic Name English
N-BUTYL ISOCYANATE [HSDB]
Common Name English
1-ISOCYANATOBUTANE
Systematic Name English
BUTYL ISOCYANATE, N-
Common Name English
Code System Code Type Description
MERCK INDEX
m2848
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID6026872
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
CAS
111-36-4
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
HSDB
5548
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
FDA UNII
XM89T89J3W
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-862-8
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
MESH
C002509
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
PUBCHEM
8110
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY
CHEBI
136519
Created by admin on Mon Mar 31 18:54:20 GMT 2025 , Edited by admin on Mon Mar 31 18:54:20 GMT 2025
PRIMARY