7A-ethyltetrahydro-2H-oxazolo[2,3-b]oxazole
Basic information
- CAS
51476-99-4- Standard SMILES
CCC12OCCN1CCO2- InChIKey
MAERDCGMHNPXAL-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Overview
See also: 5-Ethyl-1-aza-4,6-dioxabicyclo(3.3.0)octane (annotation moved to).
Names & identifiers
- Preferred name
- 7A-ethyltetrahydro-2H-oxazolo[2,3-b]oxazole
- IUPAC
- 7a-ethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
- English name
- 5-Ethyl-1-aza-4,6-dioxabicyclo(3.3.0)octane
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
51476-99-47A-ethyltetrahydro-2H-oxazolo[2,3-b]oxazole7a-ethyl-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazoleNSC274276SCHEMBL32521737a-Ethyltetrahydro-7aH-[1,3]oxazolo[2,3-b][1,3]oxazoleDTXSID60313668AKOS024333274NSC-274276ST505470897a-ethyltetrahydro[1,3]oxazolo[2,3-b][1,3]oxazole5-Ethyl-1-aza-4,6-dioxabicyclo(3.3.0)octane
Show more names
7aH-Oxazolo[2,3-b]oxazole, 7a-ethyltetrahydro-
Database identifiers
- CAS
51476-99-4- PubChem CID
- 321674
- DTXSID
DTXSID60313668- Nikkaji
- J2.035.816E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 81 °C · 81 °C(Press: 9.5 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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