1,3-Oxazinane
Basic information
- CAS
14558-49-7- Standard SMILES
C1CNCOC1- InChIKey
LQPOOAJESJYDLS-UHFFFAOYSA-N- Molecular formula
- C4H9NO
- Average molar mass
- 87.12 g/mol
- Monoisotopic mass
- 87.06841391
Names & identifiers
- Preferred name
- 1,3-Oxazinane
- IUPAC
- 1,3-oxazinane
- English name
- 1,3-oxazinane
- Molecular formula
- C4H9NO
- Molecular weight
- 87.12
Names & synonyms
1,3-oxazinane2H-1,3-Oxazine, tetrahydro-DTXSID80301901RefChem:72897DTXCID60253035819-959-9InChI=1/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H14558-49-7tetrahydro-2H-1,3-Oxazinetetrahydro-1,3-oxazineperhydro-1,3-oxazine1-Oxa-3-azacyclohexane
Show more names
2WM6T7ZJ9HMFCD13191587NSC-147293NSC147293UNII-2WM6T7ZJ9HAMY28616SCHEMBL22714SCHEMBL76031
Database identifiers
- CAS
14558-49-7- PubChem CID
- 287364
- DTXSID
DTXSID80301901- UNII
- 2WM6T7ZJ9H
- EC Number
- 819-959-9
- Nikkaji
- J902.582K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 38.5
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 135 · 135-136 °C
- Density
- 0.992 g/cm3 · 0.9920 g/cm3
- storage temp.
- 2 · 2-8°C
- pka
- 8.08 · 8.08±0.20(Predicted)
- FDA UNII
- 2 WM6T7ZJ9H · 2WM6T7ZJ9H
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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