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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H21NO2
Molecular Weight 223.3113
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[(1-Methylethyl)amino]-3-(4-methylphenoxy)-2-propanol, (2S)-

SMILES

CC(C)NC[C@H](O)COC1=CC=C(C)C=C1

InChI

InChIKey=MJXGIIVJTPVZCW-LBPRGKRZSA-N
InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H21NO2
Molecular Weight 223.3113
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:16:30 GMT 2023
Edited
by admin
on Sat Dec 16 19:16:30 GMT 2023
Record UNII
WKS8CRA7SS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[(1-Methylethyl)amino]-3-(4-methylphenoxy)-2-propanol, (2S)-
Systematic Name English
(2S)-1-[(1-Methylethyl)amino]-3-(4-methylphenoxy)-2-propanol
Systematic Name English
2-Propanol, 1-[(1-methylethyl)amino]-3-(4-methylphenoxy)-, (2S)-
Systematic Name English
Code System Code Type Description
CAS
2751575-72-9
Created by admin on Sat Dec 16 19:16:30 GMT 2023 , Edited by admin on Sat Dec 16 19:16:30 GMT 2023
PRIMARY
FDA UNII
WKS8CRA7SS
Created by admin on Sat Dec 16 19:16:30 GMT 2023 , Edited by admin on Sat Dec 16 19:16:30 GMT 2023
PRIMARY
PUBCHEM
794116
Created by admin on Sat Dec 16 19:16:30 GMT 2023 , Edited by admin on Sat Dec 16 19:16:30 GMT 2023
PRIMARY