Ketcher 07131515232D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
    4.1465   -2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786   -2.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -2.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805   -2.9557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805   -3.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144   -2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -2.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144   -4.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446   -0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6106   -1.4556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446    0.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  9 10  1  0     0  0
  8 11  1  0     0  0
  4 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
M  END
> <ID>
CHEBI:86194

> <NAME>
4-(diethylamino)benzaldehyde

> <DEFINITION>
A member of the class of benzaldehydes carrying a diethylamino substituent at position 4.

> <STAR>
3

> <SYNONYM>
p-Formyl-N,N-diethylaniline; p-(Diethylamino)benzaldehyde; 4-diethylaminobenzaldehyde; 4-(N,N-Diethylamino)benzaldehyde

> <IUPAC_NAME>
4-(diethylamino)benzaldehyde

> <FORMULA>
C11H15NO

> <MASS>
177.24290

> <MONOISOTOPIC_MASS>
177.11536

> <CHARGE>
0

> <SMILES>
CCN(CC)c1ccc(C=O)cc1

> <INCHI>
InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3

> <INCHIKEY>
MNFZZNNFORDXSV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
120-21-8

> <REAXYS_REGISTRY_NUMBER>
511102

> <CHEMIDPLUS>
120-21-8

> <NIST_CHEMISTRY_WEBBOOK>
120-21-8

> <PDBECHEM_ACCESSION>
3W9

> <PUBMED_CITATION>
25512087; 25554827

$$$$