2-Ethoxy-3-isopropylpyrazine

C₉H₁₄N₂OCAS 72797-16-1166.22 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₁₄N₂O
Molar mass: 166.22 g/mol
Exact mass: 166.1106 Da
Boiling point: 229–232 °C
logP: 2.00Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed97.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.4% of notifiers
H335 May cause respiratory irritation97.4% of notifiers

Aggregated from 39 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

72797-16-1

SMILES

CCOc1nccnc1C(C)C

InChIKey

LTAUBPVQMBOANV-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2O/c1-4-12-9-8(7(2)3)10-5-6-11-9/h5-7H,4H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

Pyrazine, 2-ethoxy-3-(1-methylethyl)-
2-Ethoxy-3-(1-methylethyl)pyrazine
2-Ethoxy-3-(propan-2-yl)pyrazine

Work with 2-Ethoxy-3-isopropylpyrazine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropyl methoxypyrazine25773-40-458 % similar 2-Ethoxy-3-methylpyrazine32737-14-755 % similar 2-Ethoxy-3-ethylpyrazine35243-43-752 % similar 3-Bromo-2-ethoxypyridine57883-25-744 % similar 2-Ethoxypyrazine38028-67-040 % similar 2-Ethoxy-3-pyridineboronic acid854373-97-040 % similar 2-Ethoxynicotinic acid35969-54-137 % similar 2-Ethoxythiazole15679-19-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-sec-Butyl-3-methoxypyrazine24168-70-5 3-Isobutyl-2-methoxypyrazine24683-00-9 4-Propoxybenzene-1,2-diamine56190-17-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook