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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6NO6P.2C5H13NO2
Molecular Weight 457.4131
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Mono(4-nitrophenyl) phosphate 2-ethyl-2-amino-1,3-propanediol salt (1:2)

SMILES

CCC(N)(CO)CO.CCC(N)(CO)CO.OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=YVXXRFJXBIWXFT-UHFFFAOYSA-N
InChI=1S/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-ethyl-1,3-propanediol (1:2)
Preferred Name English
Mono(4-nitrophenyl) phosphate 2-ethyl-2-amino-1,3-propanediol salt (1:2)
Common Name English
Code System Code Type Description
FDA UNII
46X9U789XV
Created by admin on Tue Apr 01 19:10:22 GMT 2025 , Edited by admin on Tue Apr 01 19:10:22 GMT 2025
PRIMARY
CAS
62796-28-5
Created by admin on Tue Apr 01 19:10:22 GMT 2025 , Edited by admin on Tue Apr 01 19:10:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID3069647
Created by admin on Tue Apr 01 19:10:22 GMT 2025 , Edited by admin on Tue Apr 01 19:10:22 GMT 2025
PRIMARY
ECHA (EC/EINECS)
263-734-2
Created by admin on Tue Apr 01 19:10:22 GMT 2025 , Edited by admin on Tue Apr 01 19:10:22 GMT 2025
PRIMARY
PUBCHEM
112962
Created by admin on Tue Apr 01 19:10:22 GMT 2025 , Edited by admin on Tue Apr 01 19:10:22 GMT 2025
PRIMARY
NIH
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