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4-(m-Nitrophenyl)-2-butanone
| Catalog Number | ACM1277168281 |
| CAS | 1277168-28-1 |
| Structure | ![{[CurrentData.Name]}](https://resource.alfa-chemistry.com/structure/1277168-28-1.gif) |
| IUPAC Name | (3S)-3-(dibenzylamino)piperidin-2-one |
| Synonyms | 4-(m-Nitrophenyl)-2-butanone;(3S)-3-(dibenzylamino)piperidin-2-one;1277168-28-1 |
| Molecular Weight | 294.4g/mol |
| Molecular Formula | C19H22N2O |
| Canonical SMILES | C1CC(C(=O)NC1)N(CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChI | InChI=1S/C19H22N2O/c22-19-18(12-7-13-20-19)21(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,20,22)/t18-/m0/s1 |
| InChI Key | KISOIOBURBIATQ-SFHVURJKSA-N |
| Complexity | 325 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 294.173213330g/mol |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 294.173213330g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3Ų |
| X Log P3 | 3.1 |
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