Basic information
- CAS
1704069-53-3- Standard SMILES
CC(c1cccc(B(O)O)c1)N1CCOCC1- InChIKey
BOELVXGEIYBQOT-UHFFFAOYSA-N- Molecular formula
- C12H18BNO3
- Average molar mass
- 235.09 g/mol
- Monoisotopic mass
- 235.1379736
Names & identifiers
- Preferred name
- (3-(1-Morpholinoethyl)phenyl)boronic acid
- IUPAC
- [3-(1-morpholin-4-ylethyl)phenyl]boronic acid
- English name
- (3-(1-Morpholinoethyl)phenyl)boronic acid
- Molecular formula
- C12H18BNO3
- Molecular weight
- 235.09
Names & synonyms
(3-(1-morpholinoethyl)phenyl)boronic acid1704069-53-3MFCD28384339[3-(1-morpholin-4-ylethyl)phenyl]boronic acid[3-(1-morpholinoethyl)phenyl]boronic acid3-(1-Morpholinoethyl)phenylboronic Acid(3-(1-morpholinoethyl)phenyl)boronicacidSY260865I12270Boronic acid, B-[3-[1-(4-morpholinyl)ethyl]phenyl]-
Database identifiers
- CAS
1704069-53-3- PubChem CID
- 91759220
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 389.5 · 389.5±52.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 8.46 · 8.46±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…