(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b]-1,4-oxazin-3(2H)-one
Basic information
- CAS
862095-79-2- Standard SMILES
O=C1CO[C@H]2Cc3ccccc3[C@H]2N1- InChIKey
ZDUMYQFOYOWXRR-GXSJLCMTSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- (4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b]-1,4-oxazin-3(2H)-one
- IUPAC
- (4aR,9aS)-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-one
- English name
- 4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
862095-79-2(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b]-1,4-oxazin-3(2H)-one(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno(2,1-b)-1,4-oxazin-3(2H)-oneRefChem:209062(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-oneMFCD23160382(4aR,9aS)-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-oneDTXSID30732069CS-16472D75919F2147-3770(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno [2,1-b][1,4]oxazin-3(2H)-one
Show more names
(4aR,9aS)-4,4a,9,9a-tetrahydro-Indeno[2,1-b]-1,4-oxazin-3(2H)-oneIndeno[2,1-b]-1,4-oxazin-3(2H)-one, 4,4a,9,9a-tetrahydro-, (4aR,9aS)-(4aR,9aS)-4, 4A,9, 9a-tetrahydroindene [2,1-b][1,4] oxazine-3 (2H) -one(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one - [T71834]
(4aR,9aS)-4,4a,9,9a-Tetrahydroindeno[2,1-b][1,4]oxazin-3 (2H)-oneSCHEMBL1274470ZDUMYQFOYOWXRR-GXSJLCMTSA-NAKOS016003623DB-327795CS-0098289F6116984,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one
Database identifiers
- CAS
862095-79-2- PubChem CID
- 59445883
- DTXSID
DTXSID30732069- Nikkaji
- J2.208.867J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 198 · 198-200 °C (decomp)(Solv: ethyl acetate (141-78-6))
- Boiling point
- 433.2 · 433.2±45.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 13 · 13+-.0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
6 records
Compound notes
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