chempirical

4-(Dimethylamino)cinnamaldehyde

C11H13NOCAS 6203-18-5175.23 g/mol

Open in Covalent MOL file
NO
AldehydeAlkeneTertiary amine

Properties

Molecular formula
C11H13NO
Molar mass
175.23 g/mol
Exact mass
175.0997 Da
Melting point
133.7–135 °C
logP
1.96Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
6203-18-5
SMILES
CN(C)c1ccc(C=CC=O)cc1
InChIKey
RUKJCCIJLIMGEP-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3

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Names and synonyms

13 names · show all
  • 2-Propenal, 3-[4-(dimethylamino)phenyl]-
  • Cinnamaldehyde, p-(dimethylamino)-
  • 3-[4-(Dimethylamino)phenyl]-2-propenal
  • p-(Dimethylamino)cinnamaldehyde
  • p-(Dimethylamino)cinnamic aldehyde
  • 4-(N,N-Dimethylamino)cinnamaldehyde
  • p-(N,N-Dimethylamino)cinnamaldehyde
  • 3-(4-Dimethylaminophenyl)propenal
  • 4-Dimethylaminozimtaldehyde
  • NSC 62138
  • 4-Dimethylaminocinnamic aldehyde
  • p-Dimethylaminocinnamaldehyde
  • 4-Dimethylaminocinnamaldehyde

Work with 4-(Dimethylamino)cinnamaldehyde

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

Cinnamaldehyde104-55-252 % similar 3-(4-Fluorophenyl)-2-propenal24654-55-552 % similar 4-(Dimethylamino)cinnamic acid1552-96-150 % similar Wurster'S blue100-22-148 % similar 4-Nitrocinnamaldehyde1734-79-844 % similar N,N,N′,N′-Tetramethylbenzidine366-29-043 % similar (2E)-3-(3-Chlorophenyl)-2-propenal56578-37-143 % similar Tetramethyl-P-phenylenediamine dihydrochloride637-01-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-1 Indole-3-propanol3569-21-9 4-(1-Pyrrolidinyl)benzaldehyde51980-54-2 4-Butoxybenzonitrile5203-14-5 1-Benzyl-2-pyrrolidinone5291-77-0 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-6 1-(Phenylmethyl)-3-pyrrolidinone775-16-6

Elsewhere

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