1-Amino-4-nitronaphthalene

C10H8N2O2CAS 776-34-1188.19 g/mol

Open in Covalent MOL file
H2NN+OO−
NitroPrimary amine

Properties

Molecular formula
C10H8N2O2
Molar mass
188.19 g/mol
Exact mass
188.0586 Da
Melting point
196 °C
logP
2.33Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
776-34-1
SMILES
Nc1ccc([N+](=O)[O-])c2ccccc12
InChIKey
BVPJPRYNQHAOPQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2

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Names and synonyms

10 names
  • 1-Naphthalenamine, 4-nitro-
  • 1-Naphthylamine, 4-nitro-
  • 4-Nitro-1-naphthalenamine
  • 1,4-Nitronaphthylamine
  • 4-Nitro-1-naphthylamine
  • 4-Nitro-1-naphthamine
  • 4-Nitro-α-naphthylamine
  • 4-Amino-1-nitronaphthalene
  • NSC 614
  • 4-Nitro-1-aminonaphthalene

Reactions

Work with 1-Amino-4-nitronaphthalene

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-Dinitronaphthalene6921-26-274 % similar 1,5-Dinitronaphthalene605-71-062 % similar 2-Nitroaniline88-74-461 % similar 4-Nitro-1-naphthol605-62-959 % similar 4-Methyl-1-nitronaphthalene880-93-359 % similar 2-Nitro-1-naphthylamine607-23-856 % similar 1-Nitronaphthalene86-57-755 % similar 1,2-Dinitrobenzene528-29-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Pyrazol-4-yl)benzoic acid1017794-47-6 4-(1H-Imidazol-2-yl)benzoic Acid108035-45-6 3-(1H-Imidazol-1-yl)benzoic acid108035-47-8 5-Phenyl-1H-pyrazole-3-carboxylic acid1134-49-2 1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-5 3-(4-Hydroxyphenyl)-2(1H)-pyrazinone126247-63-0 2-(1H-Imidazol-1-yl)benzoic acid159589-67-0 4-(1H-Pyrazol-1-yl)benzoic acid16209-00-0

Elsewhere

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