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Details

Stereochemistry RACEMIC
Molecular Formula C13H19NO.ClH
Molecular Weight 241.757
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 HYDROCHLORIDE

SMILES

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

InChI

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

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 ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:37:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:01 GMT 2023
Record UNII
54PX8C2E72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ETHYLAMINO)-1-(4-METHYLPHENYL)BUTAN-1-ONE HYDROCHLORIDE
Systematic Name English
1-BUTANONE, 2-(ETHYLAMINO)-1-(4-METHYLPHENYL)-, HYDROCHLORIDE
Systematic Name English
1-P-TOLYL-2-ETHYLAMINO-1-BUTANONE HYDROCHLORIDE
Systematic Name English
BUTYROPHENONE, 2-(ETHYLAMINO)-4'-METHYL-, HYDROCHLORIDE
Systematic Name English
1-BUTANONE, 2-(ETHYLAMINO)-1-(4-METHYLPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
131850107
Created by admin on Sat Dec 16 18:37:01 GMT 2023 , Edited by admin on Sat Dec 16 18:37:01 GMT 2023
PRIMARY
FDA UNII
54PX8C2E72
Created by admin on Sat Dec 16 18:37:01 GMT 2023 , Edited by admin on Sat Dec 16 18:37:01 GMT 2023
PRIMARY
CAS
18268-19-4
Created by admin on Sat Dec 16 18:37:01 GMT 2023 , Edited by admin on Sat Dec 16 18:37:01 GMT 2023
PRIMARY
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