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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N3O9
Molecular Weight 255.1397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Trimethylolethane trinitrate

SMILES

CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O

InChI

InChIKey=IPPYBNCEPZCLNI-UHFFFAOYSA-N
InChI=1S/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C5H9N3O9
Molecular Weight 255.1397
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 09:04:27 GMT 2023
Edited
by admin
on Sat Dec 16 09:04:27 GMT 2023
Record UNII
HMJ3NEC9W7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Trimethylolethane trinitrate
Systematic Name English
Metriol trinitrate
Common Name English
2-Methyl-2-hydroxymethyl-1,3-propanediol trinitrate
Systematic Name English
2-Methyl-2-nitro-oxymethyltrimethylene dinitrate
Systematic Name English
Tris(hydroxymethyl)ethane trinitrate
Systematic Name English
1,3-PROPANEDIOL, 2-(HYDROXYMETHYL)-2-METHYL-, TRINITRATE (ESTER)
Common Name English
Code System Code Type Description
CAS
3032-55-1
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY
FDA UNII
HMJ3NEC9W7
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-214-2
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID7051979
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY
WIKIPEDIA
Trimethylolethane trinitrate
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY
PUBCHEM
76423
Created by admin on Sat Dec 16 09:04:27 GMT 2023 , Edited by admin on Sat Dec 16 09:04:27 GMT 2023
PRIMARY