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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 TERT-BUTYL ISOCYANATE

SMILES

CC(C)(C)N=C=O

InChI

InChIKey=MGOLNIXAPIAKFM-UHFFFAOYSA-N
InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Lipid peroxidation, oxidative stress genes and dietary factors in breast cancer protection: a hypothesis.
2007
Molybdenum oxo-imido aryloxide complexes: oxo analogues of olefin metathesis catalysts.
2006-05-29
Synthesis and structural characterization of a terminal hydroxide containing alumoxane via hydrolysis of aluminum hydrides.
2004-02-23
Synthesis and antibacterial activity of fused 1, 2, 4-triazolo[4, 3-a]quinoxaline and oxopyrimido[2', 1':5, 1]-1, 2, 4-triazolo[4, 3-a]quinoxaline derivatives.
2002-08
Patents
Name Type Language
1,1-DIMETHYLETHYL ISOCYANATE
Preferred Name English
TERT-BUTYL ISOCYANATE
Systematic Name English
PROPANE, 2-ISOCYANATO-2-METHYL-
Systematic Name English
ISOCYANIC ACID, TERT-BUTYL ESTER
Systematic Name English
2-ISOCYANATO-2-METHYLPROPANE
Systematic Name English
T-BUTYLISOCYANATE
Systematic Name English
BUTYL ISOCYANATE, TERT-
Systematic Name English
Code System Code Type Description
CAS
1609-86-5
Created by admin on Mon Mar 31 19:21:46 GMT 2025 , Edited by admin on Mon Mar 31 19:21:46 GMT 2025
PRIMARY
PUBCHEM
62412
Created by admin on Mon Mar 31 19:21:46 GMT 2025 , Edited by admin on Mon Mar 31 19:21:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-544-9
Created by admin on Mon Mar 31 19:21:46 GMT 2025 , Edited by admin on Mon Mar 31 19:21:46 GMT 2025
PRIMARY
FDA UNII
2RHQ1BS36D
Created by admin on Mon Mar 31 19:21:46 GMT 2025 , Edited by admin on Mon Mar 31 19:21:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID6061818
Created by admin on Mon Mar 31 19:21:46 GMT 2025 , Edited by admin on Mon Mar 31 19:21:46 GMT 2025
PRIMARY