3-Methoxy-5-nitrobenzenamine

C₇H₈N₂O₃CAS 586-10-7168.15 g/mol

Open in Covalent MOL file

Ether Nitro Primary amine

Properties

Molecular formula: C₇H₈N₂O₃
Molar mass: 168.15 g/mol
Exact mass: 168.0535 Da
Melting point: 117–119 °C
logP: 1.19Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

586-10-7

SMILES

COc1cc(N)cc([N+](=O)[O-])c1

InChIKey

BGWUXZLHDLNYHW-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 3-methoxy-5-nitro-
m-Anisidine, 5-nitro-
3-Amino-5-nitroanisole
3-Methoxy-5-nitroaniline
3-Methoxy-5-nitrophenylamine

Work with 3-Methoxy-5-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-Methoxy-3,5-dinitrobenzene5327-44-674 % similar 3,5-Dinitroaniline618-87-165 % similar 1-Bromo-3-methoxy-5-nitrobenzene16618-67-062 % similar 3-Methoxy-5-nitrobenzotrifluoride328-79-057 % similar 3-Nitroanisole555-03-357 % similar 3,5-Dimethoxyaniline10272-07-855 % similar 3-Methoxy-5-nitrobenzoic acid78238-12-755 % similar 4-Nitroanisole100-17-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-5 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5

Elsewhere

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