3-Isobutyl-2-methoxypyrazine

C₉H₁₄N₂OCAS 24683-00-9166.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄N₂O
Molar mass: 166.22 g/mol
Exact mass: 166.1106 Da
Density: 0.983–1.003 g/mL
logP: 1.68Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation16.6% of notifiers
H319 Causes serious eye irritation16.6% of notifiers
H335 May cause respiratory irritation15.2% of notifiers

Aggregated from 289 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

24683-00-9

SMILES

COc1nccnc1CC(C)C

InChIKey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

Pyrazine, 2-methoxy-3-(2-methylpropyl)-
Pyrazine, 2-isobutyl-3-methoxy-
2-Methoxy-3-(2-methylpropyl)pyrazine
2-Methoxy-3-isobutylpyrazine
2-Isobutyl-3-methoxypyrazine
3-Methoxy-2-isobutylpyrazine

Work with 3-Isobutyl-2-methoxypyrazine

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-Isobutyl-3-methylpyrazine13925-06-958 % similar 2-Ethyl-3-methoxypyrazine25680-58-458 % similar Isopropyl methoxypyrazine25773-40-448 % similar 2-Methoxy-3-methylpyrazine2847-30-545 % similar Isobutylpyrazine29460-92-240 % similar 2,3-Dimethoxypyridine52605-97-737 % similar 3-Bromo-2-methoxypyridine13472-59-836 % similar 2-Isobutylthiazole18640-74-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-sec-Butyl-3-methoxypyrazine24168-70-5 4-Propoxybenzene-1,2-diamine56190-17-1 2-Ethoxy-3-isopropylpyrazine72797-16-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia