| CAS Number | 1218791-22-0 |
| Catalog Number | AG009IPQ(AGN-PC-0WAALK) |
| Chemical Name | N-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C16H25BN2O4/c1-6-7-10-18-13-9-8-12(11-14(13)19(20)21)17-22-15(2,3)16(4,5)23-17/h8-9,11,18H,6-7,10H2,1-5H3 |
| InChI Key | UVKYLDTXFMBULW-UHFFFAOYSA-N |
| MDL Number | MFCD12913979 |
| Molecular Formula | C16H25BN2O4 |
| Molecular Weight | 320.1917 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(C([N+]([O-])=O)=C2)NCCCC)O1 |
| Synonyms | 1218791-22-0,
4-n-butylamino-3-nitrophenylboronic acid, pinacol ester,
N-Butyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
4-N-Butylamino-3-nitrophenylboronic acid pinacol ester,
4-N-Butylamino-3-nitrophenylboronic acid,pinacol ester,
DTXSID60675056,
MFCD12913979,
AKOS022183966,
ZINC169904672,
OR360840,
X1757,
B-2395,
C16H25BN2O4,
UVKYLDTXFMBULW-UHFFFAOYSA-N,
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| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.196g/mol |
| Monoisotopic Mass | 320.191g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.3A^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