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

C₁₀H₁₂N₂O₂CAS 39275-18-8192.22 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₁₀H₁₂N₂O₂
Molar mass: 192.22 g/mol
Exact mass: 192.0899 Da
logP: 1.98Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

39275-18-8

SMILES

CN1CCCC2=C1C=C(C=C2)[N+](=O)[O-]

InChIKey

UIQYGCGBKBKFJY-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N2O2/c1-11-6-2-3-8-4-5-9(12(13)14)7-10(8)11/h4-5,7H,2-3,6H2,1H3

Weigh it out

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

Work with 1-Methyl-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-1,2,3,4-tetrahydroquinolin-7-amine304690-94-654 % similar 7-Nitro-1,2,3,4-tetrahydroquinoline30450-62-551 % similar 6-Nitroindoline19727-83-449 % similar 1-Acetyl-5-nitroindoline33632-27-848 % similar 7-Nitro-1-tetralone40353-34-248 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-548 % similar 6-Nitroindanone24623-24-347 % similar 5-Nitroindoline32692-19-645 % similar

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

Same formula

N,N′-Diacetyl-p-phenylenediamine140-50-1 (S)-4-(4-Aminobenzyl)-2-oxazolidinone152305-23-2 4-(4-Aminophenyl)morpholin-3-one438056-69-0

Elsewhere

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