N,N-Diethyl-4-nitrosoaniline

C₁₀H₁₄N₂OCAS 120-22-9178.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄N₂O
Molar mass: 178.23 g/mol
Exact mass: 178.1106 Da
Melting point: 87.5 °C
logP: 2.93Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H228 Flammable solid11.4% of notifiers
H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H331 Toxic if inhaled88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

120-22-9

SMILES

CCN(CC)c1ccc(N=O)cc1

InChIKey

OLNMJIHADFYHAK-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10-7-5-9(11-13)6-8-10/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzenamine, N,N-diethyl-4-nitroso-
4-Nitroso-N,N-diethylaniline
4-(N,N-Diethylamino)nitrosobenzene
4-Nitroso-N,N-diethylaminobenzene
p-(Diethylamino)nitrosobenzene
1-(Diethylamino)-4-nitrosobenzene
NSC 5418
Aniline, N,N-diethyl-p-nitroso-
N,N-Diethyl-4-nitrosobenzenamine
p-Nitrosodiethylaniline
p-Nitroso-N,N-diethylaniline
N,N-Diethyl-p-nitrosoaniline
4-(Diethylamino)nitrosobenzene

Work with N,N-Diethyl-4-nitrosoaniline

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

Solvent yellow 562481-94-958 % similar N,N-Dimethyl-4-nitrosoaniline138-89-655 % similar N,N-Diethyl-p-toluidine613-48-952 % similar 1,4-Dinitrosobenzene105-12-450 % similar 4-(Diethylamino)benzaldehyde120-21-850 % similar 4-Bromo-N,N-diethylbenzenamine2052-06-450 % similar 4,4'-Bis(diethylamino)benzophenone90-93-750 % similar Diethylaniline91-66-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1-Piperazinyl)phenol1011-17-2 3-(Morpholin-4-yl)aniline159724-40-0 4-Acetyl-4-methylheptanedinitrile1681-17-0 4-Morpholinoaniline2524-67-6 2-Morpholinoaniline5585-33-1 p-(1-Piperazinyl)phenol56621-48-8 N,N-Diethylnicotinamide59-26-7 1-(3-Hydroxyphenyl)piperazine59817-32-2

Elsewhere

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