| CAS Number | 1627563-96-5 |
| Catalog Number | AG00HYS4(AGN-PC-0WQZZ1) |
| Chemical Name | 1,2,3,4-Tetrahydroquinoline-6-boronic acid, pinacol ester |
| IUPAC Name | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10,17H,5-6,9H2,1-4H3 |
| InChI Key | ISDHEULQJVJXED-UHFFFAOYSA-N |
| MDL Number | MFCD22690668 |
| Molecular Formula | C15H22BNO2 |
| Molecular Weight | 259.1517 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc2c(c1)CCCN2 |
| Synonyms | 1,2,3,4-Tetrahydroquinoline-6-boronic acid, pinacol ester,
1627563-96-5,
MFCD22690668,
ZINC169997128,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.156g/mol |
| Monoisotopic Mass | 259.174g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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