2-(N-Cyclopentylamino)pyridine-4-boronic acid, pinacol ester - CAS 1346808-54-5
Catalog: |
BB068933 |
Product Name: |
2-(N-Cyclopentylamino)pyridine-4-boronic acid, pinacol ester |
CAS: |
1346808-54-5 |
Synonyms: |
N-CYCLOPENTYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE; 2-(N-Cyclopentylamino)pyridine-4-boronic acid, pinacol ester |
IUPAC Name: | N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine |
Description: | 2-(N-Cyclopentylamino)pyridine-4-boronic acid, pinacol ester |
Molecular Weight: | 288.19 |
Molecular Formula: | C16H25BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)NC3CCCC3 |
InChI: | InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)12-9-10-18-14(11-12)19-13-7-5-6-8-13/h9-11,13H,5-8H2,1-4H3,(H,18,19) |
InChI Key: | QCTTWAKKRFCHKJ-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.2009082 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.2009082 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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