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Details

Stereochemistry RACEMIC
Molecular Formula C5H9N
Molecular Weight 83.1317
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLBUTYRONITRILE

SMILES

CCC(C)C#N

InChI

InChIKey=RCEJCSULJQNRQQ-UHFFFAOYSA-N
InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H9N
Molecular Weight 83.1317
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:03:09 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:09 GMT 2023
Record UNII
R5Y900M14U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLBUTYRONITRILE
Systematic Name English
SEC-BUTYL CYANIDE
Systematic Name English
.ALPHA.-METHYLBUTYRONITRILE
Systematic Name English
2-CYANOBUTANE
Systematic Name English
(±)-2-CYANOBUTANE
Systematic Name English
BUTANENITRILE, 2-METHYL-
Systematic Name English
NSC-165615
Code English
BUTYRONITRILE, 2-METHYL-
Systematic Name English
2-METHYLBUTANENITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
R5Y900M14U
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
NSC
165615
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
CHEBI
61669
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
PUBCHEM
29339
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
CAS
18936-17-9
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
242-687-1
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID50871287
Created by admin on Sat Dec 16 12:03:09 GMT 2023 , Edited by admin on Sat Dec 16 12:03:09 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE