Methanone, (3-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)phenyl)phenyl-, hydrochloride
Basic information
- CAS
84508-87-2- Standard SMILES
Cl.O=C(c1ccccc1)c1cccc(C23CNCC(CO2)O3)c1- InChIKey
WAXDADOMWXRTCO-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- Methanone, (3-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)phenyl)phenyl-, hydrochloride
- IUPAC
- [3-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)phenyl]-phenylmethanone;hydrochloride
Names & synonyms
(3-(6,8-Dioxa-3-azabicyclo(3.2.1)oct-5-yl)phenyl)phenylmethanone hydrochloride84508-87-25-(meta-Benzoyl)phenyl-3-aza-6,8-dioxabicyclo(3.2.1)octane chlorhydrateMethanone, (3-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)phenyl)phenyl-, hydrochlorideRefChem:352639DTXSID401004782[3-(6,8-Dioxa-3-azabicyclo[3.2.1]octan-5-yl)phenyl](phenyl)methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
84508-87-2- PubChem CID
- 3069286
- DTXSID
DTXSID401004782
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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