| CAS Number | 1505516-19-7 |
| Catalog Number | AG00HXT4(AGN-PC-0WNGCW) |
| Chemical Name | 3-[2-(Boc-amino)ethoxy]phenylboronic Acid Pinacol Ester |
| IUPAC Name | tert-butyl N-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate |
| InChI | InChI=1S/C19H30BNO5/c1-17(2,3)24-16(22)21-11-12-23-15-10-8-9-14(13-15)20-25-18(4,5)19(6,7)26-20/h8-10,13H,11-12H2,1-7H3,(H,21,22) |
| InChI Key | GXCVCYPGZBKJQB-UHFFFAOYSA-N |
| MDL Number | MFCD29055295 |
| Molecular Formula | C19H30BNO5 |
| Molecular Weight | 363.2562 |
| SMILES | CC(C)(C)OC(=O)NCCOC1=CC=CC(=C1)B1OC(C)(C)C(C)(C)O1 |
| Synonyms | 3-[2-(Boc-amino)ethoxy]phenylboronic Acid Pinacol Ester,
1505516-19-7,
SCHEMBL16014145,
GXCVCYPGZBKJQB-UHFFFAOYSA-N,
MFCD29055295,
ZINC225095631,
CS-12172,
SY039074,
MFCD29055295 (95%),
tert-Butyl (2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)carbamate,
tert-butyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethylcarbamate,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.222g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.261g/mol |
| Monoisotopic Mass | 363.222g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number