5-Methoxy-2-methylbenzoselenazole

C₉H₉NOSeCAS 2946-17-0226.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉NOSe
Molar mass: 226.15 g/mol
Exact mass: 226.9849 Da
Boiling point: 162 °C (at 10 Torr)
logP: 1.61Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.5% of notifiers
H331 Toxic if inhaled97.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure97.5% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

2946-17-0

SMILES

COc1ccc2[se]c(C)nc2c1

InChIKey

LVIYTMFDCXRSDL-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3

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

Names and synonyms

3 names

Benzoselenazole, 5-methoxy-2-methyl-
2-Methyl-5-methoxybenzoselenazole
NSC 366221

Work with 5-Methoxy-2-methylbenzoselenazole

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-Methylbenzoselenazole2818-88-452 % similar 5-Methoxy-2-methylbenzothiazole2941-69-746 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-446 % similar 6-Methoxy-2-methylquinoline1078-28-044 % similar 6-Methoxy-2-methylbenzothiazole2941-72-243 % similar 2,4-Dichloro-7-methoxyquinazoline62484-31-541 % similar 3,4-Dimethylanisole4685-47-641 % similar 2,6-Dimethoxynaphthalene5486-55-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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