chempirical

4-Ethoxy-2-nitroaniline

C8H10N2O3CAS 616-86-4182.18 g/mol

Open in Covalent MOL file
ONH2N+OO−
EtherNitroPrimary amine

Properties

Molecular formula
C8H10N2O3
Molar mass
182.18 g/mol
Exact mass
182.0691 Da
Melting point
109–110 °C
logP
1.58Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
616-86-4
SMILES
CCOc1ccc(N)c([N+](=O)[O-])c1
InChIKey
ISFYBUAVOZFROB-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3

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Names and synonyms

9 names
  • Benzenamine, 4-ethoxy-2-nitro-
  • p-Phenetidine, 2-nitro-
  • 4-Ethoxy-2-nitrobenzenamine
  • 4-Amino-3-nitrophenetole
  • 2-Nitro-p-phenetidine
  • NSC 1320
  • NSC 58160
  • (4-Ethoxy-2-nitrophenyl)amine
  • 2-Nitro-4-ethoxyaniline

Work with 4-Ethoxy-2-nitroaniline

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

1,4-Diethoxy-2-nitrobenzene119-23-369 % similar 4-Methyl-2-nitroaniline89-62-355 % similar Nitro-P-phenylenediamine5307-14-254 % similar 5-Methoxy-2-nitrobenzenamine16133-49-654 % similar 4-Fluoro-2-nitroaniline364-78-353 % similar 4-Iodo-2-nitrobenzenamine20691-72-951 % similar 4-Amino-3-nitrophenol610-81-151 % similar 4-Bromo-2-nitroaniline875-51-451 % similar

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

Same formula

3,5-Dimethyl-4-nitro-2-pyridinemethanol149082-03-1 Hc yellow 24926-55-0 2,3,5-Trimethyl-4-nitropyridine 1-oxide86604-79-7

Elsewhere

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