U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C3H6N2O6
Molecular Weight 166.0895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trimethylene dinitrate

SMILES

[O-][N+](=O)OCCCO[N+]([O-])=O

InChI

InChIKey=KOSAMXZBGUIISK-UHFFFAOYSA-N
InChI=1S/C3H6N2O6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2

HIDE SMILES / InChI

Molecular Formula C3H6N2O6
Molecular Weight 166.0895
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 13:08:12 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:12 GMT 2023
Record UNII
4NLR2HTY9M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trimethylene dinitrate
Common Name English
1,3-Propanediol, dinitrate
Systematic Name English
1,3-Propanediol, 1,3-dinitrate
Systematic Name English
NSC-62613
Code English
Code System Code Type Description
NSC
62613
Created by admin on Sat Dec 16 13:08:12 GMT 2023 , Edited by admin on Sat Dec 16 13:08:12 GMT 2023
PRIMARY
PUBCHEM
96257
Created by admin on Sat Dec 16 13:08:12 GMT 2023 , Edited by admin on Sat Dec 16 13:08:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID20188117
Created by admin on Sat Dec 16 13:08:12 GMT 2023 , Edited by admin on Sat Dec 16 13:08:12 GMT 2023
PRIMARY
CAS
3457-90-7
Created by admin on Sat Dec 16 13:08:12 GMT 2023 , Edited by admin on Sat Dec 16 13:08:12 GMT 2023
PRIMARY
FDA UNII
4NLR2HTY9M
Created by admin on Sat Dec 16 13:08:12 GMT 2023 , Edited by admin on Sat Dec 16 13:08:12 GMT 2023
PRIMARY