| CAS Number | 672309-99-8 |
| Catalog Number | AG0063FT(AGN-PC-0KKM5U) |
| Chemical Name | 4-(4'-Cyanophenyl)-1-N-Boc-aniline |
| IUPAC Name | tert-butyl N-[4-(4-cyanophenyl)phenyl]carbamate |
| InChI | InChI=1S/C18H18N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,1-3H3,(H,20,21) |
| InChI Key | QGYXCPXPLNAAOY-UHFFFAOYSA-N |
| MDL Number | MFCD03426381 |
| Molecular Formula | C18H18N2O2 |
| Molecular Weight | 294.3477 |
| SMILES | O(C(C)(C)C)C(NC1C=CC(=CC=1)C1C=CC(C#N)=CC=1)=O |
| Synonyms | 4-(4'-Cyanophenyl)-1-N-Boc-aniline,
672309-99-8,
tert-Butyl (4'-cyano-[1,1'-biphenyl]-4-yl)carbamate,
AC1MBX33,
(4'-cyano-biphenyl-4-yl)-carbamic acid tert-butyl ester,
CTK8E9342,
DTXSID80374099,
ZINC2580933,
MFCD03426381,
AB0075773,
AX8037763,
RT-009183,
A13385,
X-2833,
tert-butyl N-[4-(4-cyanophenyl)phenyl]carbamate,
4- -1-N-BOC-ANILINE,
ZINC02580933,
CID2757968,
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| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.354g/mol |
| Monoisotopic Mass | 294.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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