(4-(2-Hydroxypropan-2-yl)pyridin-2-yl)boronic acid
Basic information
- CAS
1310385-00-2- Standard SMILES
CC(C)(O)c1ccnc(B(O)O)c1- InChIKey
LSXVCYFWLXDKSK-UHFFFAOYSA-N- Molecular formula
- C8H12BNO3
- Average molar mass
- 181 g/mol
- Monoisotopic mass
- 181.0910234
Names & identifiers
- Preferred name
- (4-(2-Hydroxypropan-2-yl)pyridin-2-yl)boronic acid
- IUPAC
- [4-(2-hydroxypropan-2-yl)-2-pyridinyl]boronic acid
- English name
- 4-(2-Hydroxypropan-2-yl)pyridine-2-boronic acid
- Molecular formula
- C8H12BNO3
- Molecular weight
- 181
Names & synonyms
1310385-00-2(4-(2-Hydroxypropan-2-yl)pyridin-2-yl)boronic acid[4-(2-hydroxypropan-2-yl)pyridin-2-yl]boronic acid4-(2-Hydroxypropan-2-yl)pyridine-2-boronic acidBoronic acid, B-[4-(1-hydroxy-1-methylethyl)-2-pyridinyl]-(4-(2-Hydroxypropan-2-yl)pyridin-2-yl)boronicacidSCHEMBL2558548DTXSID00694448AKOS006313841AT34757
Database identifiers
- CAS
1310385-00-2- PubChem CID
- 53398484
- DTXSID
DTXSID00694448
Properties
Computed structural properties
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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