| CAS Number | 1430474-30-8 |
| Catalog Number | AG01FPUL(AGN-PC-3H5P5L) |
| Chemical Name | N-Cyclohexyl-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Aniline |
| IUPAC Name | N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C18H28BNO2/c1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15/h10-13,15,20H,5-9H2,1-4H3 |
| InChI Key | VIXSWZLRMUSPFT-UHFFFAOYSA-N |
| MDL Number | MFCD32206407 |
| Molecular Formula | C18H28BNO2 |
| Molecular Weight | 301.2314 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=C(C=C2)NC3CCCCC3)O1 |
| Synonyms | N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
SCHEMBL14863327,
VIXSWZLRMUSPFT-UHFFFAOYSA-N,
AS-72181,
1430474-30-8,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.221309g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.2g/mol |
| Monoisotopic Mass | 301.221309g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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