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

C₉H₁₂N₂O₃CAS 100418-33-5196.21 g/mol

Open in Covalent MOL file

Alcohol Nitro Secondary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-126-00-X), via PubChem.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

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

Weigh it out

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

Names and synonyms

6 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
Hydroxyethyl-2-nitro-p-toluidine

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-Hydroxypropylamino-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

2,5-Dimethoxybenzhydrazide17894-25-6 3-Carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-pyridone29097-12-9 3-Aminotyrosine300-34-5 Veratric acid hydrazide41764-74-3 3,5-Dimethoxybenzhydrazide51707-38-1

Elsewhere

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