2,4,5-Trimethyl-3-oxazoline
Properties
- Molecular formula
- C6H11NO
- Molar mass
- 113.16 g/mol
- Exact mass
- 113.0841 Da
- Density
- 0.913–0.92 g/mL
- Boiling point
- 96–97 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 21.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation97.3% of notifiers
- H319 Causes serious eye irritation> 99.9% of notifiers
- H335 May cause respiratory irritation97.3% of notifiers
Aggregated from 1,445 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
22694-96-8SMILES
CC1=NC(C)OC1CInChIKey
YFSGRMONVCFYTC-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Oxazole, 2,5-dihydro-2,4,5-trimethyl-
- 3-Oxazoline, 2,4,5-trimethyl-
- 2,5-Dihydro-2,4,5-trimethyloxazole
- 2,4,5-Trimethyl-δ3-oxazoline
- 2,4,5-Trimethyl-2,5-dihydro-1,3-oxazole
Work with 2,4,5-Trimethyl-3-oxazoline
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