U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H21NO2S.ClH
Molecular Weight 315.859
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PROPANONE, 2-METHYL-1-(4-(METHYLTHIO)PHENYL)-2-(4-MORPHOLINYL)-, HYDROCHLORIDE (1:1)

SMILES

Cl.CSC1=CC=C(C=C1)C(=O)C(C)(C)N2CCOCC2

InChI

InChIKey=NDTMZMRFUIJYPK-UHFFFAOYSA-N
InChI=1S/C15H21NO2S.ClH/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12;/h4-7H,8-11H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C15H21NO2S
Molecular Weight 279.398
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Determination of low-level ink photoinitiator residues in packaged milk by solid-phase extraction and LC-ESI/MS/MS using triple-quadrupole mass analyzer.
2009 Dec
Mass transfer ways of ultraviolet printing ink ingredients into foodstuffs.
2010 Jul
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:25:27 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:27 GMT 2023
Record UNII
V529G23NWF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PROPANONE, 2-METHYL-1-(4-(METHYLTHIO)PHENYL)-2-(4-MORPHOLINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1353758-31-2
Created by admin on Sat Dec 16 18:25:27 GMT 2023 , Edited by admin on Sat Dec 16 18:25:27 GMT 2023
PRIMARY
FDA UNII
V529G23NWF
Created by admin on Sat Dec 16 18:25:27 GMT 2023 , Edited by admin on Sat Dec 16 18:25:27 GMT 2023
PRIMARY
PUBCHEM
86684623
Created by admin on Sat Dec 16 18:25:27 GMT 2023 , Edited by admin on Sat Dec 16 18:25:27 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE