| CAS Number | 457066-54-5 |
| Catalog Number | AG01EW24(AGN-PC-3H4839) |
| Chemical Name | 4'-n-Butylbiphenyl-4-carboxamidoxime |
| IUPAC Name | 4-(4-butylphenyl)-N'-hydroxybenzenecarboximidamide |
| InChI | InChI=1S/C17H20N2O/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19-20/h5-12,20H,2-4H2,1H3,(H2,18,19) |
| InChI Key | CJMFLZICXYZCJB-UHFFFAOYSA-N |
| MDL Number | MFCD05979708 |
| Molecular Formula | C17H20N2O |
| Molecular Weight | 268.3535 |
| SMILES | C1(/C(=N/O)/N)C=CC(C2C=CC(CCCC)=CC=2)=CC=1 |
| Synonyms | 4'-n-Butylbiphenyl-4-carboxamidoxime,
457066-54-5,
SCHEMBL14597969,
MFCD22988966,
4'-n-Butylbiphenyl-4-carboxamidoxime, AldrichCPR,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 268.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.36g/mol |
| Monoisotopic Mass | 268.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
Lot Number