Basic information
- CAS
66955-51-9- Standard SMILES
c1ccc2c(c1)CNCO2- InChIKey
WTAVYBAEMMFITK-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 3,4-Dihydro-2H-1,3-benzoxazine
- IUPAC
- 3,4-dihydro-2H-1,3-benzoxazine
- English name
- 3,4-Dihydro-2H-benzo[e][1,3]oxazine
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
66955-51-93,4-dihydro-2H-1,3-benzoxazineDTXSID00619459RefChem:1065748DTXCID005702133,4-Dihydro-2H-benzo[e][1,3]oxazineCHEMBL372615SCHEMBL362151SCHEMBL574744SCHEMBL879092SCHEMBL2117713SCHEMBL2503999
Show more names
2H-1,3-Benzoxazine, 3,4-dihydro-
SCHEMBL16569936SCHEMBL17969084SCHEMBL29356240WTAVYBAEMMFITK-UHFFFAOYSA-NBDBM50002408MFCD08234791AKOS006286242SY316119
Database identifiers
- CAS
66955-51-9- PubChem CID
- 21886866
- DTXSID
DTXSID00619459- ChEMBL
CHEMBL372615- Nikkaji
- J657.306A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 235.9 · 235.9±19.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 6.36 · 6.36±0.20(Predicted)
Chemistry & industry
Suppliers4 total
赛纳斯特化学（欢迎点击联系）021-60343070
上海默衡科技有限公司15001930925 · [email protected]
诺圣华控股集团有限公司+86-023-62871537 · [email protected]
上海嘉捷生物科技有限公司19542788059
Related reactions
2 records
Compound notes
Loading…