4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
Catalog No: FT-0687984
CAS No: 844891-01-6
- Chemical Name: 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline
- Molecular Formula: C14H16BNO2
- Molecular Weight: 241.10
- InChI Key: AQEZCUCPPAKCLQ-UHFFFAOYSA-N
- InChI: InChI=1S/C14H16BNO2/c1-14(2)9-17-15(18-10-14)13-8-16-7-11-5-3-4-6-12(11)13/h3-8H,9-10H2,1-2H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Product_Name: | 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)isoquinoline |
|---|---|
| Flash_Point: | N/A |
| Melting_Point: | 123ºC |
| FW: | 241.09300 |
| Density: | 1.12 g/cm3 |
| CAS: | 844891-01-6 |
| Bolling_Point: | 409.2ºC at 760 mmHg |
| MF: | C14H16BNO2 |
| Melting_Point: | 123ºC |
|---|---|
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 314 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :288 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Molecular_Structure: | ['1 . Molar refractive index 7237 ', '2 . Molar volume 2221 ', '3 . Parachor (902K)5504 ', '4 . Surface tension 376 ', '5 . Polarizability 2869'] |
| LogP: | 2.00300 |
| Refractive_Index: | 1.566 |
| FW: | 241.09300 |
| PSA: | 31.35000 |
| Density: | 1.12 g/cm3 |
| MF: | C14H16BNO2 |
| Bolling_Point: | 409.2ºC at 760 mmHg |
| Exact_Mass: | 241.12700 |
| Hazard_Codes: | Xi: Irritant; |
|---|---|
| HS_Code: | 2934999090 |
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