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Details

Stereochemistry ACHIRAL
Molecular Formula C9H15N
Molecular Weight 137.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Allyldiethylacetonitrile

SMILES

CCC(CC)(CC=C)C#N

InChI

InChIKey=GBWKBEIKORAGLS-UHFFFAOYSA-N
InChI=1S/C9H15N/c1-4-7-9(5-2,6-3)8-10/h4H,1,5-7H2,2-3H3

HIDE SMILES / InChI

Molecular Formula C9H15N
Molecular Weight 137.2221
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 17:48:21 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:21 GMT 2025
Record UNII
Q769WG75KK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Allyldiethylacetonitrile
Systematic Name English
2,2-Diethylpent-4-enenitrile
Preferred Name English
4-Pentenenitrile, 2,2-diethyl-
Systematic Name English
2,2-Diethyl-4-pentenenitrile
Systematic Name English
Code System Code Type Description
CAS
59346-54-2
Created by admin on Tue Apr 01 17:48:21 GMT 2025 , Edited by admin on Tue Apr 01 17:48:21 GMT 2025
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PUBCHEM
101020
Created by admin on Tue Apr 01 17:48:21 GMT 2025 , Edited by admin on Tue Apr 01 17:48:21 GMT 2025
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ECHA (EC/EINECS)
261-712-7
Created by admin on Tue Apr 01 17:48:21 GMT 2025 , Edited by admin on Tue Apr 01 17:48:21 GMT 2025
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FDA UNII
Q769WG75KK
Created by admin on Tue Apr 01 17:48:21 GMT 2025 , Edited by admin on Tue Apr 01 17:48:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID90208093
Created by admin on Tue Apr 01 17:48:21 GMT 2025 , Edited by admin on Tue Apr 01 17:48:21 GMT 2025
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