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C12H9NO2CAS 484-29-7199.21 g/mol

Open in Covalent MOL file
ONO
Ether

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Melting point
133.5 °C
logP
2.99Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
484-29-7
SMILES
COc1c2ccccc2nc2occc12
InChIKey
WIONIXOBNMDJFJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3

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Names and synonyms

4 names
  • Furo[2,3-b]quinoline, 4-methoxy-
  • 4-Methoxyfuro[2,3-b]quinoline
  • Dictamine
  • Dectamine

Work with Dictamnine

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

Evodine6989-38-439 % similar Isopimpinellin482-27-937 % similar 4-Methoxyquinoline607-31-837 % similar Bergapten484-20-836 % similar 4-Methoxy-2-quinolinecarboxylic acid15733-83-235 % similar 9-Methylacridine611-64-335 % similar 1,4-Dimethoxynaphthalene10075-62-433 % similar Pimpinellin131-12-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 6-Phenylpyridine-2-carboxylic acid39774-28-2 4-(2-Pyridyl)benzoic acid4385-62-0 4-Pyridin-3-yl-benzoic acid4385-75-5 4-(Pyridin-4-yl)benzoic acid4385-76-6 3-(Pyridin-3-yl)benzoic acid4385-77-7

Elsewhere

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