Basic information
- CAS
5434-59-3- Standard SMILES
CC(C)(C)c1cc(C[N+](C)(C)[O-])c(O)c(-c2ccccc2)c1- InChIKey
LPMBMOLVAXZNDK-UHFFFAOYSA-N- Molecular formula
- C19H25NO2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.18852904
Names & identifiers
- Preferred name
- 5-Tert-butyl-3-[(dimethylnitroryl)methyl]biphenyl-2-ol
- IUPAC
- 1-(5-tert-butyl-2-hydroxy-3-phenylphenyl)-N,N-dimethylmethanamine oxide
Names & synonyms
5434-59-35-tert-butyl-3-[(dimethylnitroryl)methyl]biphenyl-2-olNSC13827DTXSID50279729NSC 13827NSC-13827(5-tert-Butyl-2-hydroxy[1,1'-biphenyl]-3-yl)-N,N-dimethylmethanamine N-oxide
Database identifiers
- CAS
5434-59-3- PubChem CID
- 224955
- DTXSID
DTXSID50279729
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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