1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline

C₁₁H₁₄N₂O₂CAS 57883-28-0206.25 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₁₁H₁₄N₂O₂
Molar mass: 206.25 g/mol
Exact mass: 206.1055 Da
logP: 2.37Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

57883-28-0

SMILES

CCN1CCCC2=C1C=C(C=C2)[N+](=O)[O-]

InChIKey

TUCATNRJGJWEKT-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2/c1-2-12-7-3-4-9-5-6-10(13(14)15)8-11(9)12/h5-6,8H,2-4,7H2,1H3

Weigh it out

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Work with 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline

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-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline39275-18-869 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-152 % similar 7-Nitro-1-tetralone40353-34-248 % similar 7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-548 % similar 6-Nitroindoline19727-83-446 % similar Disperse red 12872-52-845 % similar 1-Acetyl-5-nitroindoline33632-27-845 % similar 2-Ethyl-5-nitrobenzenamine20191-74-645 % similar

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

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5 3-(Cbz-amino)-azetidine914348-04-2

Elsewhere

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