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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17NO3.ClH
Molecular Weight 259.729
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)ETHAN-1-ONE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=JQQYYKZPHGWVCC-UHFFFAOYSA-N
InChI=1S/C12H17NO3.ClH/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;/h4-6,13-15H,7H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C12H17NO3
Molecular Weight 223.2683
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:12 GMT 2023
Record UNII
AYX3SB2J3Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)ETHAN-1-ONE HYDROCHLORIDE
Systematic Name English
3,4-DIHYDROXYPHENYL N-(TERT-BUTYL)AMINOMETHYL KETONE HYDROCHLORIDE
Systematic Name English
ETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
ETHANONE, 1-(3,4-DIHYDROXYPHENYL)-2-((1,1-DIMETHYLETHYL)AMINO)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
34715-64-5
Created by admin on Sat Dec 16 12:27:12 GMT 2023 , Edited by admin on Sat Dec 16 12:27:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-166-0
Created by admin on Sat Dec 16 12:27:12 GMT 2023 , Edited by admin on Sat Dec 16 12:27:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID60188272
Created by admin on Sat Dec 16 12:27:12 GMT 2023 , Edited by admin on Sat Dec 16 12:27:12 GMT 2023
PRIMARY
PUBCHEM
3015704
Created by admin on Sat Dec 16 12:27:12 GMT 2023 , Edited by admin on Sat Dec 16 12:27:12 GMT 2023
PRIMARY
FDA UNII
AYX3SB2J3Z
Created by admin on Sat Dec 16 12:27:12 GMT 2023 , Edited by admin on Sat Dec 16 12:27:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE