Basic information
- Standard SMILES
CBr.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
XLWCXUMAYITRNU-UHFFFAOYSA-N- Molecular formula
- C21H28BrNO3
- Average molar mass
- 422.4 g/mol
- Monoisotopic mass
- 421.12526
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl hydroxy(diphenyl)acetate-bromomethane (1:1)
- IUPAC
- bromomethane;2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
Names & synonyms
SCHEMBL7799126CHEMBL2360543DTXSID8010458812-(Diethylamino)ethyl hydroxy(diphenyl)acetate - bromomethane (1:1)
Database identifiers
- PubChem CID
- 20056743
- DTXSID
DTXSID801045881- ChEMBL
CHEMBL2360543
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…