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Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NO2
Molecular Weight 193.2423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYL NICOTINATE

SMILES

CC(C)CCOC(=O)C1=CN=CC=C1

InChI

InChIKey=AEXUAOSTRZAKRT-UHFFFAOYSA-N
InChI=1S/C11H15NO2/c1-9(2)5-7-14-11(13)10-4-3-6-12-8-10/h3-4,6,8-9H,5,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H15NO2
Molecular Weight 193.2423
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 19:25:34 GMT 2025
Edited
by admin
on Tue Apr 01 19:25:34 GMT 2025
Record UNII
WK8CQ234ED
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTYL NICOTINATE
Systematic Name English
3-METHYLBUTYL PYRIDINE-3-CARBOXYLATE
Preferred Name English
3-PYRIDINECARBOXYLIC ACID, 3-METHYLBUTYL ESTER
Common Name English
NICOTINIC ACID, ISOPENTYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
256-846-8
Created by admin on Tue Apr 01 19:25:34 GMT 2025 , Edited by admin on Tue Apr 01 19:25:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID80198959
Created by admin on Tue Apr 01 19:25:34 GMT 2025 , Edited by admin on Tue Apr 01 19:25:34 GMT 2025
PRIMARY
PUBCHEM
580086
Created by admin on Tue Apr 01 19:25:34 GMT 2025 , Edited by admin on Tue Apr 01 19:25:34 GMT 2025
PRIMARY
FDA UNII
WK8CQ234ED
Created by admin on Tue Apr 01 19:25:34 GMT 2025 , Edited by admin on Tue Apr 01 19:25:34 GMT 2025
PRIMARY
CAS
50917-69-6
Created by admin on Tue Apr 01 19:25:34 GMT 2025 , Edited by admin on Tue Apr 01 19:25:34 GMT 2025
PRIMARY