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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO
Molecular Weight 205.2961
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(ETHYLAMINO)-1-(4-METHYLPHENYL)BUTAN-1-ONE

SMILES

CCNC(CC)C(=O)C1=CC=C(C)C=C1

InChI

InChIKey=ZTIPDEPKTDPNQE-UHFFFAOYSA-N
InChI=1S/C13H19NO/c1-4-12(14-5-2)13(15)11-8-6-10(3)7-9-11/h6-9,12,14H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H19NO
Molecular Weight 205.2961
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Formation of odd-electron product ions in collision-induced fragmentation of electrospray-generated protonated cathinone derivatives: aryl α-primary amino ketones.
2013 Aug 30
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:17:54 GMT 2023
Edited
by admin
on Sat Dec 16 18:17:54 GMT 2023
Record UNII
X7K74D6K9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ETHYLAMINO)-1-(4-METHYLPHENYL)BUTAN-1-ONE
Systematic Name English
4-ME-NEB
Common Name English
1-BUTANONE, 2-(ETHYLAMINO)-1-(4-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
X7K74D6K9B
Created by admin on Sat Dec 16 18:17:54 GMT 2023 , Edited by admin on Sat Dec 16 18:17:54 GMT 2023
PRIMARY
CAS
744954-22-1
Created by admin on Sat Dec 16 18:17:54 GMT 2023 , Edited by admin on Sat Dec 16 18:17:54 GMT 2023
PRIMARY
PUBCHEM
91698934
Created by admin on Sat Dec 16 18:17:54 GMT 2023 , Edited by admin on Sat Dec 16 18:17:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID901024541
Created by admin on Sat Dec 16 18:17:54 GMT 2023 , Edited by admin on Sat Dec 16 18:17:54 GMT 2023
PRIMARY
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