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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

Approval Year

Unknown
149124
Name Type Language
Trimethylene dinitrate
Common Name English
NSC-62613
Preferred Name English
1,3-Propanediol, dinitrate
Systematic Name English
1,3-Propanediol, 1,3-dinitrate
Systematic Name English
Code System Code Type Description
NSC
62613
Created by admin on Tue Apr 01 20:15:26 GMT 2025 , Edited by admin on Tue Apr 01 20:15:26 GMT 2025
PRIMARY
PUBCHEM
96257
Created by admin on Tue Apr 01 20:15:26 GMT 2025 , Edited by admin on Tue Apr 01 20:15:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID20188117
Created by admin on Tue Apr 01 20:15:26 GMT 2025 , Edited by admin on Tue Apr 01 20:15:26 GMT 2025
PRIMARY
CAS
3457-90-7
Created by admin on Tue Apr 01 20:15:26 GMT 2025 , Edited by admin on Tue Apr 01 20:15:26 GMT 2025
PRIMARY
FDA UNII
4NLR2HTY9M
Created by admin on Tue Apr 01 20:15:26 GMT 2025 , Edited by admin on Tue Apr 01 20:15:26 GMT 2025
PRIMARY
NIH
NCATS
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