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

Danger

H301 Toxic if swallowed95.1% of notifiers
H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Nitro-1-tetralone40353-34-251 % similar HC Yellow 556932-44-649 % similar Dinitrophenyl-ε-aminocaproic acid10466-72-548 % similar 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-048 % 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 5,6-Dimethoxybenzimidazole72721-02-9

Elsewhere

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