chempirical

2-Amino-4,5-dimethoxybenzonitrile

C9H10N2O2CAS 26961-27-3178.19 g/mol

Open in Covalent MOL file
ONH2NO
EtherNitrilePrimary amine

Properties

Molecular formula
C9H10N2O2
Molar mass
178.19 g/mol
Exact mass
178.0742 Da
Melting point
92–93.5 °C
logP
1.16Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
26961-27-3
SMILES
COc1cc(N)c(C#N)cc1OC
InChIKey
BJAYMNUBIULRMF-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,11H2,1-2H3

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Names and synonyms

8 names
  • Benzonitrile, 2-amino-4,5-dimethoxy-
  • Veratronitrile, 6-amino-
  • 6-Aminoveratronitrile
  • 6-Amino-3,4-dimethoxybenzonitrile
  • 2-Cyano-4,5-dimethoxyaniline
  • 4,5-Dimethoxyanthranilonitrile
  • 3,4-Dimethoxy-6-cyanoaniline
  • 4,5-Dimethoxy-2-aminobenzonitrile

Work with 2-Amino-4,5-dimethoxybenzonitrile

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-Methoxybenzonitrile6609-56-952 % similar 4,5-Dimethoxy-2-nitrobenzonitrile102714-71-650 % similar 3,4-Dimethoxybenzonitrile2024-83-150 % similar 2,4-Dimethoxybenzonitrile4107-65-750 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-950 % similar 2,5-Dimethoxybenzonitrile5312-97-050 % similar 5-Bromo-2-methoxybenzonitrile144649-99-047 % similar 5-Fluoro-2-methoxybenzonitrile189628-38-447 % similar

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

Same formula

2,2-Dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-21-4 1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-1 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-5

Elsewhere

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