chempirical

2-[(4-Methyl-2-nitrophenyl)amino]ethanol

C9H12N2O3CAS 100418-33-5196.21 g/mol

Open in Covalent MOL file
NHOHN+OO−
AlcoholNitroSecondary amine

Properties

Molecular formula
C9H12N2O3
Molar mass
196.21 g/mol
Exact mass
196.0848 Da
Melting point
82–83 °C
logP
1.31Crippen estimate
Polar surface area
75.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
100418-33-5
SMILES
Cc1ccc(NCCO)c([N+](=O)[O-])c1
InChIKey
SCZQUWZLEIYDBD-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O3/c1-7-2-3-8(10-4-5-12)9(6-7)11(13)14/h2-3,6,10,12H,4-5H2,1H3

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Names and synonyms

5 names
  • Ethanol, 2-[(4-methyl-2-nitrophenyl)amino]-
  • 4-(2-Hydroxyethylamino)-3-nitrotoluene
  • 4-[(2-Hydroxyethyl)amino]-3-nitro-1-methylbenzene
  • 2-[(4-Methyl-2-nitrophenyl)amino]ethan-1-ol
  • 2-(4-Methyl-2-nitroanilino)ethanol

Work with 2-[(4-Methyl-2-nitrophenyl)amino]ethanol

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

2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-271 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-071 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-669 % similar Hc red 32871-01-467 % similar Hc yellow 24926-55-063 % similar Hc blue 233229-34-463 % similar 4-[(3-Hydroxypropyl)amino]-3-nitrophenol92952-81-359 % similar Hc blue 12132885-85-957 % similar

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

Same formula

3-Carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-pyridone29097-12-9 Veratric acid hydrazide41764-74-3

Elsewhere

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