4-Acetamidobenzaldehyde

C9H9NO2CAS 122-85-0163.18 g/mol

Open in Covalent MOL file
OHNO
Aldehyde

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
157 °C
logP
2.11Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
122-85-0
SMILES
CC(O)=Nc1ccc(C=O)cc1
InChIKey
SKLUWKYNZNXSLX-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-6H,1H3,(H,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • Acetamide, N-(4-formylphenyl)-
  • Acetanilide, 4′-formyl-
  • N-(4-Formylphenyl)acetamide
  • p-Acetamidobenzaldehyde
  • 4′-Formylacetanilide
  • p-Formylacetanilide
  • Micotiazone
  • p-(Acetylamino)benzaldehyde
  • 4-(Acetylamino)benzaldehyde
  • NSC 1701
  • NSC 1774

Work with 4-Acetamidobenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N'-Diacetyl-p-phenylenediamine140-50-165 % similar 4′-Bromoacetanilide103-88-855 % similar 4-Methylacetanilide103-89-955 % similar Acetaminophen103-90-255 % similar N-(4-(2,2-Dicyanoethenyl)phenyl)acetamide26088-79-954 % similar Acetanilide103-84-453 % similar 4′-Mercaptoacetanilide1126-81-453 % similar 4-Aminoacetanilide122-80-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

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