| CAS Number | 1926137-46-3 |
| Catalog Number | AG00I2VE(AGN-PC-0WOH48) |
| Chemical Name | 1-BOC-1,2,3,4-Tetrahydroquinoline-7-boronic acid |
| IUPAC Name | [1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-quinolin-7-yl]boronic acid |
| InChI | InChI=1S/C14H20BNO4/c1-14(2,3)20-13(17)16-8-4-5-10-6-7-11(15(18)19)9-12(10)16/h6-7,9,18-19H,4-5,8H2,1-3H3 |
| InChI Key | ZQYNWTITBYUFJL-UHFFFAOYSA-N |
| MDL Number | MFCD20441850 |
| Molecular Formula | C14H20BNO4 |
| Molecular Weight | 277.1239 |
| SMILES | OB(C1=CC2=C(C=C1)CCCN2C(OC(C)(C)C)=O)O |
| Synonyms | 1-BOC-1,2,3,4-Tetrahydroquinoline-7-boronic acid,
1926137-46-3,
(1-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroquinolin-7-yl)boronic acid,
ZQYNWTITBYUFJL-UHFFFAOYSA-N,
MFCD20441850,
ZINC169955674,
W2872,
B-9741,
C14H20BNO4,
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| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.127g/mol |
| Monoisotopic Mass | 277.149g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number