4-(2,5-Diethoxy-4-nitrophenyl)morpholine

C14H20N2O5CAS 86-16-8296.32 g/mol

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EtherNitroTertiary amine

Properties

Molecular formula
C14H20N2O5
Molar mass
296.32 g/mol
Exact mass
296.1372 Da
Melting point
139–139.5 °C
logP
2.23Crippen estimate
Polar surface area
74.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
86-16-8
SMILES
CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCOCC1
InChIKey
KNHGNICBXADRMC-UHFFFAOYSA-N
InChI
InChI=1S/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3

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Names and synonyms

1 names
  • Morpholine, 4-(2,5-diethoxy-4-nitrophenyl)-

Work with 4-(2,5-Diethoxy-4-nitrophenyl)morpholine

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

2,5-Diethoxy-4-(4-morpholinyl)benzenamine51963-82-756 % similar 1,4-Diethoxy-2-nitrobenzene119-23-352 % similar 4-Morpholino-3-nitrobenzaldehyde300541-91-749 % similar 1-Ethoxy-2-nitrobenzene610-67-349 % similar 2,5-Diethoxy-4-morpholinobenzenediazonium sulfate32178-39-547 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-645 % similar 4-Ethoxy-3-nitropyridine1796-84-545 % similar 4-(4-Nitrophenyl)morpholine10389-51-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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