2,4,4-Trimethyl-2-oxazoline
Properties
- Molecular formula
- C6H11NO
- Molar mass
- 113.16 g/mol
- Exact mass
- 113.0841 Da
- Boiling point
- 112 °C
- logP
- 1.21Crippen estimate
- Polar surface area
- 21.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
1772-43-6SMILES
CC1=NC(C)(C)CO1InChIKey
HZRZMHNRCSIQFT-UHFFFAOYSA-NInChI
InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Oxazole, 4,5-dihydro-2,4,4-trimethyl-
- 2-Oxazoline, 2,4,4-trimethyl-
- 4,5-Dihydro-2,4,4-trimethyloxazole
- 2,4,4-Trimethyl-1,3-oxazoline
- NSC 107049
- 2,4,4-Trimethyl-4,5-dihydro-1,3-oxazole
- 2,4,4-Trimethyl-5H-1,3-oxazole
Work with 2,4,4-Trimethyl-2-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
Similar compounds
2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline57598-33-136 % similar
4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-236 % similar
4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]benzeneethanol361382-26-533 % similar
2-Methyl-2-oxazoline1120-64-532 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.