chempirical

Ethyl N-phenylmethanimidate

C9H11NOCAS 6780-49-0149.19 g/mol

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Properties

Molecular formula
C9H11NO
Molar mass
149.19 g/mol
Exact mass
149.0841 Da
Boiling point
214 °C
logP
2.38Crippen estimate
Polar surface area
21.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
6780-49-0
SMILES
CCOC=Nc1ccccc1
InChIKey
DRDBNKYFCOLNQO-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3

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Names and synonyms

6 names
  • Methanimidic acid, N-phenyl-, ethyl ester
  • Formimidic acid, N-phenyl-, ethyl ester
  • Ethyl N-phenylformimidate
  • Ethyl isoformanilide
  • N-(Ethoxymethylene)aniline
  • N-Phenylformimidic acid ethyl ester

Reactions

Work with Ethyl N-phenylmethanimidate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl N-phenylcarbamate101-99-544 % similar N,N′-Diphenylformamidine622-15-141 % similar Formanilide103-70-840 % similar Ethyl phenyl ether103-73-140 % similar N-Benzylideneaniline538-51-240 % similar N-(4-Methoxybenzylidene)aniline836-41-938 % similar 1,2-Diethoxybenzene2050-46-637 % similar 1,1′,1′′-(Ethoxysilylidyne)tris[benzene]1516-80-936 % similar

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

Same formula

para-Dimethylaminobenzaldehyde100-10-7 4-Methylacetanilide103-89-9 1-(3-Aminophenyl)-1-propanone1197-05-3 N-(2-Methylphenyl)acetamide120-66-1 (1S,2R)-(-)-1-Amino-2-indanol126456-43-7 (+)-cis-1-Amino-2-indanol136030-00-7 1,2,3,4-Tetrahydroisoquinolin-6-ol14446-24-3 (1R,2R)-(-)-trans-1-Amino-2-indanol163061-73-2

Elsewhere

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