Basic information
- CAS
127201-99-4- Standard SMILES
CB1OC(COc2ccc(CC(N)=O)cc2)CN1C(C)C- InChIKey
RTMDQVZAMODPRU-UHFFFAOYSA-N- Molecular formula
- C15H23BN2O3
- Average molar mass
- 290.17 g/mol
- Monoisotopic mass
- 290.1801728
Names & identifiers
- Preferred name
- Atenolol methylboronate
- IUPAC
- 2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide
Names & synonyms
Atenolol methylboronateAtenolol methaneboronateRTMDQVZAMODPRU-UHFFFAOYSA-NDTXSID401129388127201-99-42-(4-[(3-Isopropyl-2-methyl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl)acetamide #2-(4-{[2-Methyl-3-(propan-2-yl)-1,3,2-oxazaborolidin-5-yl]methoxy}phenyl)acetamideBenzeneacetamide, 4-[[2-methyl-3-(1-methylethyl)-1,3,2-oxazaborolidin-5-yl]methoxy]-
Database identifiers
- CAS
127201-99-4- PubChem CID
- 623756
- DTXSID
DTXSID401129388
Properties
Computed structural properties
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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