Basic information
- CAS
131513-35-4- Standard SMILES
c1ccc2c(c1)NC(CN1CCOCC1)CO2- InChIKey
PBDBHLSLPCKGRV-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
- IUPAC
- 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
- English name
- 3,4-Dihydro-3-[(4-morpholinyl)methyl]-2H-1,4-benzoxazine
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
131513-35-43-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine3,4-Dihydro-3-[(4-morpholinyl)methyl]-2H-1,4-benzoxazine3-[(Morpholin-4-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine1,4-DIHYDRO-3-(4-MORPHOLINYLMETHYL)-2H-BENZO[B][1,4]OXAZINE3-(Morpholinomethyl)-3,4-dihydro-2H-benzo[b][1,4]oxazineMLS000035126TimTec1_008068Oprea1_052418Oprea1_350716SCHEMBL9701340CHEMBL1338290
Show more names
1,4-DIHYDRO-3-(4-MORPHOLINYLMETHYL)-2H-1,4-BENZOXAZINE2H-1,4-Benzoxazine, 3,4-dihydro-3-(4-morpholinylmethyl)-
3-Morpholin-4-ylmethyl-3,4-dihydro-2H-benzo[1,4]oxazineDTXSID20349509PBDBHLSLPCKGRV-UHFFFAOYSA-NHMS1556O16HMS2277G24AKOS000638928AKOS022180850IDI1_033722
Database identifiers
- CAS
131513-35-4- PubChem CID
- 650697
- DTXSID
DTXSID20349509- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 379.5 · 379.5±37.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
赛纳斯特化学（欢迎点击联系）021-60343070
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
14 records
Compound notes
Loading…