Basic information
- CAS
17959-90-9- Standard SMILES
Cc1ccc2c(c1)NC(=O)C(C)O2- InChIKey
AUNQUXZPFSCXMN-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
- IUPAC
- 2,6-dimethyl-4H-1,4-benzoxazin-3-one
- English name
- 2,6-Dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
17959-90-92,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-oneDTXSID20398810RefChem:248462DTXCID603496692,6-DIMETHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE2,6-DIMETHYL-2,4-DIHYDRO-1,4-BENZOXAZIN-3-ONE2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one2,6-dimethyl-4H-1,4-benzoxazin-3-oneMFCD018339882H-1,4-Benzoxazin-3(4H)-one, 2,6-dimethyl-2,6-Dimethyl-4H-benzo[1,4]oxazin-3-one
Show more names
2-Chloro-N-(2-hydroxy-5-methylphenyl)propanamideJRH-09902, 2,6-Dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one, 97%
SCHEMBL5670717AUNQUXZPFSCXMN-UHFFFAOYSA-NSAA95990STL3646502,6-Dimethyl-1,4-benzoxazin-3-oneAKOS000421489AKOS016352762CS-0207132
Database identifiers
- CAS
17959-90-9- PubChem CID
- 4054366
- DTXSID
DTXSID20398810- Nikkaji
- J2.816.749K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 143.4 · 143.4-144.2 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 338 · 338.0±41.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
1 records
Compound notes
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