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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N2
Molecular Weight 198.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Benzyl)-1,2,3,6-tetrahydroisonicotinonitrile

SMILES

N#CC1=CCN(CC2=CC=CC=C2)CC1

InChI

InChIKey=WXEFCWCPTMOIAH-UHFFFAOYSA-N
InChI=1S/C13H14N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-6H,7-9,11H2

HIDE SMILES / InChI

Molecular Formula C13H14N2
Molecular Weight 198.2637
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 19:07:16 GMT 2025
Edited
by admin
on Tue Apr 01 19:07:16 GMT 2025
Record UNII
NR3DJJ5AR2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-132889
Preferred Name English
1-(Benzyl)-1,2,3,6-tetrahydroisonicotinonitrile
Systematic Name English
4-Pyridinecarbonitrile, 1,2,3,6-tetrahydro-1-(phenylmethyl)-
Systematic Name English
1-Benzyl-1,2,3,6-tetrahydropyridine-4-carbonitrile
Systematic Name English
1,2,3,6-Tetrahydro-1-(phenylmethyl)-4-pyridinecarbonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
NR3DJJ5AR2
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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CAS
51281-64-2
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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ECHA (EC/EINECS)
257-106-7
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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EPA CompTox
DTXSID10199277
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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NSC
132889
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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PUBCHEM
97563
Created by admin on Tue Apr 01 19:07:16 GMT 2025 , Edited by admin on Tue Apr 01 19:07:16 GMT 2025
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