7-Nitro-1,2,3,4-tetrahydroquinoline

C₉H₁₀N₂O₂CAS 30450-62-5178.19 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₉H₁₀N₂O₂
Molar mass: 178.19 g/mol
Exact mass: 178.0742 Da
logP: 1.95Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

30450-62-5

SMILES

C1CC2=C(C=C(C=C2)[N+](=O)[O-])NC1

InChIKey

WSWMGHRLUYADNA-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2

Weigh it out

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

Work with 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

6-Nitroindoline19727-83-485 % similar 5-Nitroindoline32692-19-665 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-251 % similar 1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline39275-18-851 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-347 % similar 1,2,3,4-Tetrahydroquinolin-7-amine153856-89-447 % similar 2,7-Dinitrofluorene5405-53-847 % similar 7-Hydroxy-1,2,3,4-tetrahydroquinoline58196-33-147 % similar

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

Same formula

2,2-Dimethyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one20348-21-4 2-Amino-4,5-dimethoxybenzonitrile26961-27-3 1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-1 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-5

Elsewhere

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