| CAS Number | 1036990-28-9 |
| Catalog Number | AG01FNSW(AGN-PC-3H4BIB) |
| Chemical Name | Carbamic acid,N-[2-[[[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino]carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[2-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]carbamate |
| InChI | InChI=1S/C20H32BN3O5/c1-18(2,3)27-17(26)23-12-11-22-16(25)24-15-10-8-9-14(13-15)21-28-19(4,5)20(6,7)29-21/h8-10,13H,11-12H2,1-7H3,(H,23,26)(H2,22,24,25) |
| InChI Key | KUAMYCUYVYJLSF-UHFFFAOYSA-N |
| MDL Number | MFCD32206586 |
| Molecular Formula | C20H32BN3O5 |
| Molecular Weight | 405.2962 |
| SMILES | CC1(C)OB(C2=CC(NC(NCCNC(OC(C)(C)C)=O)=O)=CC=C2)OC1(C)C |
| Synonyms | SCHEMBL3319977,
AS-75163,
1036990-28-9,
tert-butyl N-[2-({[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoyl}amino)ethyl]carbamate,
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| Complexity | 575 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.243501g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.3g/mol |
| Monoisotopic Mass | 405.243501g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 97.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number