1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(morpholinomethyl)-, hydrochloride
Basic information
- CAS
96401-69-3- Standard SMILES
Cc1ccc2c(c1)C(=O)C(C[NH+]1CCOCC1)CCO2.[Cl-]- InChIKey
AMAWHFYTMYKFMA-UHFFFAOYSA-N- Molecular formula
- C16H22ClNO3
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1288213
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(morpholinomethyl)-, hydrochloride
- IUPAC
- 7-methyl-4-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Names & synonyms
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-(morpholinomethyl)-, hydrochloride96401-69-33,4-Dihydro-7-methyl-4-(morpholinomethyl)-1-benzoxepin-5(2H)-one hydrochlorideRefChem:227838
Database identifiers
- CAS
96401-69-3- PubChem CID
- 57065
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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