Basic information
- CAS
874633-63-3- Standard SMILES
Cc1ccc(CN(C)C)c(B(O)O)c1- InChIKey
ZVWITYAFZKHCBW-UHFFFAOYSA-N- Molecular formula
- C10H16BNO2
- Average molar mass
- 193.05 g/mol
- Monoisotopic mass
- 193.1274089
Names & identifiers
- Preferred name
- (2-((Dimethylamino)methyl)-5-methylphenyl)boronic acid
- IUPAC
- [2-[(dimethylamino)methyl]-5-methylphenyl]boronic acid
Names & synonyms
874633-63-3(2-((Dimethylamino)methyl)-5-methylphenyl)boronic acid{2-[(Dimethylamino)methyl]-5-methylphenyl}boronic acidstarbld0019236SCHEMBL17723056DTXSID30729454
Database identifiers
- CAS
874633-63-3- PubChem CID
- 58596802
- DTXSID
DTXSID30729454
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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