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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N
Molecular Weight 83.1317
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl isocyanide

SMILES

CC(C)(C)[N+]#[C-]

InChI

InChIKey=FAGLEPBREOXSAC-UHFFFAOYSA-N
InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3

HIDE SMILES / InChI

Molecular Formula C5H9N
Molecular Weight 83.1317
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:33:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:20 GMT 2025
Record UNII
22S4Z857K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl isocyanide
Systematic Name English
NSC-141687
Preferred Name English
t-Butylisocyanide
Systematic Name English
tert-Butylisonitrile
Systematic Name English
Propane, 2-isocyano-2-methyl-
Systematic Name English
2-Isocyano-2-methylpropan
Systematic Name English
1,1-Dimethylethyl isocyanide
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60222145
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-553-5
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
PUBCHEM
23577
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
CAS
7188-38-7
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
NSC
141687
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
FDA UNII
22S4Z857K3
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
WIKIPEDIA
tert-Butyl isocyanide
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY