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Details

Stereochemistry RACEMIC
Molecular Formula C10H12N2O5.C4H11NO2
Molecular Weight 345.3483
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DINOSEB-DIOLAMINE

SMILES

OCCNCCO.CCC(C)C1=C(O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=LITHUQSNACPLIL-UHFFFAOYSA-N
InChI=1S/C10H12N2O5.C4H11NO2/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;6-3-1-5-2-4-7/h4-6,13H,3H2,1-2H3;5-7H,1-4H2

HIDE SMILES / InChI

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12N2O5
Molecular Weight 240.2127
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
I075V5944B
Record Status Validated (UNII)
Record Version