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Details

Stereochemistry RACEMIC
Molecular Formula C11H18N2O8
Molecular Weight 306.2692
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Propylenediaminetetraacetic acid

SMILES

CC(CN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O

InChI

InChIKey=XNCSCQSQSGDGES-UHFFFAOYSA-N
InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C11H18N2O8
Molecular Weight 306.2692
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:01:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:01:15 GMT 2025
Record UNII
NJ8Z3VTQ2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-PDTA
Preferred Name English
1,2-Propylenediaminetetraacetic acid
Common Name English
Glycine, N,N?-(1-methyl-1,2-ethanediyl)bis[N-(carboxymethyl)-
Systematic Name English
N,N?-(1-Methyl-1,2-ethanediyl)bis[N-(carboxymethyl)glycine]
Systematic Name English
Methyl-EDTA
Common Name English
Code System Code Type Description
CAS
4408-81-5
Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025
PRIMARY
PUBCHEM
20442
Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025
PRIMARY
FDA UNII
NJ8Z3VTQ2W
Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID101253702
Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-559-7
Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE