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Details

Stereochemistry MIXED
Molecular Formula C16H23NO3
Molecular Weight 277.3587
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-SEC-BUTYL PENTYLONE

SMILES

CCCC(NC(C)CC)C(=O)C1=CC2=C(OCO2)C=C1

InChI

InChIKey=BKWYAZGGZTXSSF-UHFFFAOYSA-N
InChI=1S/C16H23NO3/c1-4-6-13(17-11(3)5-2)16(18)12-7-8-14-15(9-12)20-10-19-14/h7-9,11,13,17H,4-6,10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H23NO3
Molecular Weight 277.3587
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:46:46 GMT 2025
Edited
by admin
on Wed Apr 02 11:46:46 GMT 2025
Record UNII
UW72HMS8WY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-SEC-BUTYL PENTYLONE
Common Name English
1-(1,3-BENZODIOXOL-5-YL)-2-((1-METHYLPROPYL)AMINO)-1-PENTANONE
Preferred Name English
1-(BENZO(D)(1,3)DIOXOL-5-YL)-2-(SEC-BUTYLAMINO)PENTAN-1-ONE
Systematic Name English
1-PENTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-((1-METHYLPROPYL)AMINO)-
Systematic Name English
VALEROPHENONE, 2-(SEC-BUTYLAMINO)-3',4'-(METHYLENEDIOXY)-
Systematic Name English
Code System Code Type Description
CAS
802575-13-9
Created by admin on Wed Apr 02 11:46:46 GMT 2025 , Edited by admin on Wed Apr 02 11:46:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID501345660
Created by admin on Wed Apr 02 11:46:46 GMT 2025 , Edited by admin on Wed Apr 02 11:46:46 GMT 2025
PRIMARY
FDA UNII
UW72HMS8WY
Created by admin on Wed Apr 02 11:46:46 GMT 2025 , Edited by admin on Wed Apr 02 11:46:46 GMT 2025
PRIMARY
PUBCHEM
155907794
Created by admin on Wed Apr 02 11:46:46 GMT 2025 , Edited by admin on Wed Apr 02 11:46:46 GMT 2025
PRIMARY
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