Basic information
- CAS
100323-45-3- Standard SMILES
COc1ccc(C(=O)c2ccc3c(c2)OC(C[NH+]2CCOCC2)CO3)cc1.[Cl-]- InChIKey
BTJXBTQDLNKKHH-UHFFFAOYSA-N- Molecular formula
- C21H24ClNO5
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1343006
Names & identifiers
- Preferred name
- Ketone, p-methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl, hydrochloride
- IUPAC
- (4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone chloride
Names & synonyms
3639 CT100323-45-31,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(morpholinomethyl)-, hydrochlorideMorpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrate [French]p-Methoxyphenyl 3-morpholinomethyl-1,4-benzodioxan-6-yl ketone hydrochlorideKETONE, p-METHOXYPHENYL 3-MORPHOLINOMETHYL-1,4-BENZODIOXAN-6-YL, HYDROCHLORIDEMorpholinomethyl-2 p-methoxybenzoyl-7 benzodioxan chlorhydrateRefChem:3504921,4-Benzodioxan, 7-(p-methoxybenzoyl)-2-(morpholinomethyl)-, hydrochlo ride(4-methoxyphenyl)-[3-(morpholin-4-ium-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone;chloride
Database identifiers
- CAS
100323-45-3- PubChem CID
- 57780
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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