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Details

Stereochemistry RACEMIC
Molecular Formula C8H8O3.C2H8N2
Molecular Weight 212.2456
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYLENEDIAMINE MANDELATE

SMILES

NCCN.OC(C(O)=O)C1=CC=CC=C1

InChI

InChIKey=MXESQYGXOLPAJN-UHFFFAOYSA-N
InChI=1S/C8H8O3.C2H8N2/c9-7(8(10)11)6-4-2-1-3-5-6;3-1-2-4/h1-5,7,9H,(H,10,11);1-4H2

HIDE SMILES / InChI

Molecular Formula C2H8N2
Molecular Weight 60.0983
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C8H8O3
Molecular Weight 152.1473
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:00:59 UTC 2023
Edited
by admin
on Fri Dec 15 15:00:59 UTC 2023
Record UNII
UQQ27E1299
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYLENEDIAMINE MANDELATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-, COMPD. WITH 1,2-ETHANEDIAMINE (1:1)
Systematic Name English
Code System Code Type Description
CAS
17140-83-9
Created by admin on Fri Dec 15 15:00:59 UTC 2023 , Edited by admin on Fri Dec 15 15:00:59 UTC 2023
PRIMARY
FDA UNII
UQQ27E1299
Created by admin on Fri Dec 15 15:00:59 UTC 2023 , Edited by admin on Fri Dec 15 15:00:59 UTC 2023
PRIMARY
PUBCHEM
67116727
Created by admin on Fri Dec 15 15:00:59 UTC 2023 , Edited by admin on Fri Dec 15 15:00:59 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE