chempirical

4-Ethynyl-N,N-dimethylaniline

C10H11NCAS 17573-94-3145.21 g/mol

Open in Covalent MOL file
N
AlkyneTertiary amine

Properties

Molecular formula
C10H11N
Molar mass
145.21 g/mol
Exact mass
145.0891 Da
Melting point
52–53 °C
logP
1.73Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
17573-94-3
SMILES
C#Cc1ccc(N(C)C)cc1
InChIKey
ZWMAYLMVFSCMMS-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenamine, 4-ethynyl-N,N-dimethyl-
  • Aniline, p-ethynyl-N,N-dimethyl-
  • 4-Ethynyl-N,N-dimethylbenzenamine
  • [p-(Dimethylamino)phenyl]acetylene
  • p-Ethynyl-N,N-dimethylaniline
  • 4-(Dimethylamino)phenylethyne
  • 4-Dimethylaminophenylacetylene
  • 1-Ethynyl-4-(dimethylamino)benzene
  • 4-Ethynylphenyl-N,N-dimethylamine
  • N-(4-Ethynylphenyl)-N,N-dimethylamine
  • 1-(Dimethylamino)-4-ethynylbenzene
  • (4-Ethynylphenyl)dimethylamine
  • N,N-Methyl-4-ethynylaniline
  • 4-Ethynyl-N,N-dimethylaminobenzene
  • [4-(N,N-Dimethylamino)phenyl]acetylene
  • N,N-Dimethyl-4-ethynylaniline
  • p-(N,N-Dimethylamino)phenylacetylene

Work with 4-Ethynyl-N,N-dimethylaniline

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

Wurster'S blue100-22-157 % similar 1,4-Diethynylbenzene935-14-857 % similar 4-(Dimethylamino)benzonitrile1197-19-956 % similar N,N,N′,N′-Tetramethylbenzidine366-29-050 % similar Tetramethyl-P-phenylenediamine dihydrochloride637-01-450 % similar 4-Methylphenylacetylene766-97-250 % similar Dimethyl-P-toluidine99-97-846 % similar 1-Ethyl-4-ethynylbenzene40307-11-745 % similar

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

Same formula

2,5-Dimethylindole1196-79-8 2,5-Dimethylbenzeneacetonitrile16213-85-7 Benzenebutanenitrile2046-18-6 3,5-Dimethylbenzeneacetonitrile39101-54-7 α-Ethylbenzeneacetonitrile769-68-6 1,2-Dimethylindole875-79-6 2,3-Dimethylindole91-55-4

Elsewhere

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