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Details

Stereochemistry ACHIRAL
Molecular Formula C6H5NO2.C2H7NO
Molecular Weight 184.1925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOTINATE ETHANOLAMINE

SMILES

NCCO.OC(=O)C1=CN=CC=C1

InChI

InChIKey=GDOCJYOSJSADCJ-UHFFFAOYSA-N
InChI=1S/C6H5NO2.C2H7NO/c8-6(9)5-2-1-3-7-4-5;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2

HIDE SMILES / InChI

Molecular Formula C6H5NO2
Molecular Weight 123.1094
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 C2H7NO
Molecular Weight 61.0831
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

Approval Year

Substance Class Chemical
Record UNII
71P617JXF6
Record Status Validated (UNII)
Record Version