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Details

Stereochemistry ACHIRAL
Molecular Formula 2C12H14O5.C2H8N2
Molecular Weight 536.5714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,2-ETHANEDIAMINE BIS(3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENOATE)

SMILES

NCCN.COC1=CC(=CC(OC)=C1OC)\C=C\C(O)=O.COC2=CC(=CC(OC)=C2OC)\C=C\C(O)=O

InChI

InChIKey=PQQGLPCUWGYXJZ-WDTNTSJCSA-N
InChI=1S/2C12H14O5.C2H8N2/c2*1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3;3-1-2-4/h2*4-7H,1-3H3,(H,13,14);1-4H2/b2*5-4+;

HIDE SMILES / InChI

Molecular Formula C12H14O5
Molecular Weight 238.2366
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:54:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:54:57 GMT 2023
Record UNII
68023703UN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-ETHANEDIAMINE BIS(3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENOATE)
Systematic Name English
1,2-ETHANEDIAMINE, BIS(3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENOATE)
Common Name English
2-PROPENOIC ACID, 3-(3,4,5-TRIMETHOXYPHENYL)-, COMPD. WITH 1,2-ETHANEDIAMINE (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
68023703UN
Created by admin on Sat Dec 16 10:54:58 GMT 2023 , Edited by admin on Sat Dec 16 10:54:58 GMT 2023
PRIMARY
PUBCHEM
6440322
Created by admin on Sat Dec 16 10:54:58 GMT 2023 , Edited by admin on Sat Dec 16 10:54:58 GMT 2023
PRIMARY
CAS
110326-33-5
Created by admin on Sat Dec 16 10:54:58 GMT 2023 , Edited by admin on Sat Dec 16 10:54:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE