Marvin  07121316162D          

  7  6  0  0  0  0            999 V2000
    8.0328   -7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8925   -6.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750   -7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3214   -6.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039   -7.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4636   -6.8037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275   -5.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
> <ID>
CHEBI:74687

> <NAME>
N-acetylethanolamine

> <DEFINITION>
A member of the class of ethanolamines that is 2-aminoethanol in which one of the hydrogens of the amino group is replaced by an acetyl group.

> <STAR>
3

> <IUPAC_NAME>
N-(2-hydroxyethyl)acetamide

> <FORMULA>
C4H9NO2

> <MASS>
103.11980

> <MONOISOTOPIC_MASS>
103.06333

> <CHARGE>
0

> <SMILES>
CC(=O)NCCO

> <INCHI>
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)

> <INCHIKEY>
PVCJKHHOXFKFRP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
142-26-7

> <REAXYS_REGISTRY_NUMBER>
1811708

> <CHEMIDPLUS>
142-26-7

$$$$