N,N-Diethyl-4-nitrobenzenamine

C₁₀H₁₄N₂O₂CAS 2216-15-1194.23 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₁₀H₁₄N₂O₂
Molar mass: 194.23 g/mol
Exact mass: 194.1055 Da
Melting point: 77.5 °C
logP: 2.44Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

2216-15-1

SMILES

CCN(CC)c1ccc([N+](=O)[O-])cc1

InChIKey

CFPIZMWTMRWZRO-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O2/c1-3-11(4-2)9-5-7-10(8-6-9)12(13)14/h5-8H,3-4H2,1-2H3

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Names and synonyms

7 names

Benzenamine, N,N-diethyl-4-nitro-
Aniline, N,N-diethyl-p-nitro-
N,N-Diethyl-4-nitroaniline
N,N-Diethyl-p-nitroaniline
p-Nitro-N,N-diethylaniline
4-Nitro-N,N-diethylaniline
4-(Diethylamino)nitrobenzene

Work with N,N-Diethyl-4-nitrobenzenamine

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-(4-Nitrophenyl)piperidine6574-15-864 % similar Disperse red 12872-52-863 % similar Disperse orange 2531482-56-160 % similar 4-(4-Nitrophenyl)morpholine10389-51-260 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-160 % similar 1-(4-Nitrophenyl)piperazine6269-89-260 % similar N,N-Dimethyl-4-nitroaniline100-23-259 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-658 % similar

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

Same formula

N-2-Pyridinyl-β-alanine ethyl ester103041-38-9 1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine1153949-11-1 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-6 1,4-Bis(acryloyl)piperazine6342-17-2

Elsewhere

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