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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

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
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 Aug
Synthesis and structural characterization of a terminal hydroxide containing alumoxane via hydrolysis of aluminum hydrides.
2004 Feb 23
Molybdenum oxo-imido aryloxide complexes: oxo analogues of olefin metathesis catalysts.
2006 May 29
Lipid peroxidation, oxidative stress genes and dietary factors in breast cancer protection: a hypothesis.
2007
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:48:49 GMT 2023
Edited
by admin
on Fri Dec 15 18:48:49 GMT 2023
Record UNII
2RHQ1BS36D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TERT-BUTYL ISOCYANATE
Systematic Name English
1,1-DIMETHYLETHYL 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 Fri Dec 15 18:48:49 GMT 2023 , Edited by admin on Fri Dec 15 18:48:49 GMT 2023
PRIMARY
PUBCHEM
62412
Created by admin on Fri Dec 15 18:48:49 GMT 2023 , Edited by admin on Fri Dec 15 18:48:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-544-9
Created by admin on Fri Dec 15 18:48:49 GMT 2023 , Edited by admin on Fri Dec 15 18:48:49 GMT 2023
PRIMARY
FDA UNII
2RHQ1BS36D
Created by admin on Fri Dec 15 18:48:49 GMT 2023 , Edited by admin on Fri Dec 15 18:48:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID6061818
Created by admin on Fri Dec 15 18:48:49 GMT 2023 , Edited by admin on Fri Dec 15 18:48:49 GMT 2023
PRIMARY