| CAS Number | 478341-55-8 |
| Catalog Number | AG01E4JN(AGN-PC-0JEKNJ) |
| Chemical Name | CP339818Hydrochloride |
| IUPAC Name | 1-benzyl-N-butylquinolin-4-imine;hydrochloride |
| InChI | InChI=1S/C20H22N2.ClH/c1-2-3-14-21-19-13-15-22(16-17-9-5-4-6-10-17)20-12-8-7-11-18(19)20;/h4-13,15H,2-3,14,16H2,1H3;1H |
| InChI Key | HDAMNMJLKSDNJF-UHFFFAOYSA-N |
| MDL Number | MFCD09878238 |
| Molecular Formula | C21H25ClN2 |
| Molecular Weight | 340.8896 |
| SMILES | CCCCC/N=C1C=CN(CC2=CC=CC=C2)C3=C1C=CC=C3.[H]Cl |
| Synonyms | 478341-55-8,
SCHEMBL20639344,
CTK8E7887,
RT-012099,
CP-339818,
CP 339818 HYDROCHLORIDE,
1-benzyl-N-butylquinolin-4-imine;hydrochloride,
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| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.868g/mol |
| Monoisotopic Mass | 326.155g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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