| CAS Number | 2096330-09-3 |
| Catalog Number | AG01EHG5 |
| Chemical Name | 3-(N-Cyclopentylaminomethyl)phenylboronic acid, pinacol ester, HCl |
| IUPAC Name | N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]cyclopentanamine;hydrochloride |
| InChI | InChI=1S/C18H28BNO2.ClH/c1-17(2)18(3,4)22-19(21-17)15-9-7-8-14(12-15)13-20-16-10-5-6-11-16;/h7-9,12,16,20H,5-6,10-11,13H2,1-4H3;1H |
| InChI Key | MMMZOVQWUMJBHK-UHFFFAOYSA-N |
| MDL Number | MFCD18914523 |
| Molecular Formula | C18H29BClNO2 |
| Molecular Weight | 337.6924 |
| SMILES | CC1(C)OB(OC1(C)C)c1cccc(c1)CNC1CCCC1.Cl |
| Synonyms | 3-(N-Cyclopentylaminomethyl)phenylboronic acid, pinacol ester, HCl,
2096330-09-3,
N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)cyclopentanamine hydrochloride,
MFCD18914523,
A-2960,
B-8842,
3-(N-Cyclopentylaminomethyl)phenylboronic acid, pinacol ester hydrochloride,
N/A,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.695g/mol |
| Monoisotopic Mass | 337.198g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number