Basic information
- CAS
1309981-43-8- Standard SMILES
CC(C)(O)c1ccncc1B(O)O- InChIKey
LDYHASLAANQOHU-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-3-yl)boronic acid
- IUPAC
- [4-(2-hydroxypropan-2-yl)-3-pyridinyl]boronic acid
- English name
- 4-(2-Hydroxypropan-2-yl)pyridine-3-boronic acid
- Molecular formula
- C8H12BNO3
- Molecular weight
- 181
Names & synonyms
1309981-43-8(4-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronic acid[4-(2-hydroxypropan-2-yl)pyridin-3-yl]boronic acid4-(2-Hydroxypropan-2-yl)pyridine-3-boronic acid[4-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]boronic acid(4-(2-Hydroxypropan-2-yl)pyridin-3-yl)boronicacidSCHEMBL15330232DTXSID10694479Boronic acid, B-[4-(1-hydroxy-1-methylethyl)-3-pyridinyl]-MFCD09992915AKOS006313530FD10190
Show more names
BS-15185SY255302CS-01745624-(2-Hydroxy-2-propyl)pyridine-3-boronic AcidF243512
Database identifiers
- CAS
1309981-43-8- PubChem CID
- 53398522
- DTXSID
DTXSID10694479
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
- Boiling point
- 416.7 · 416.7±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4 · 4.00±0.58(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
Suppliers17 total
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
嘉兴诺华化工有限公司021-20921617 18957373295 · [email protected]
上海梦蓝医药科技有限公司13062660007 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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