| CAS Number | 1427460-41-0 |
| Catalog Number | AG01FL52(AGN-PC-0WCCJQ) |
| Chemical Name | benzyl 4-[(aminocarbonyl)amino]piperidine-1-carboxylate |
| IUPAC Name | benzyl 4-(carbamoylamino)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H19N3O3/c15-13(18)16-12-6-8-17(9-7-12)14(19)20-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H3,15,16,18) |
| InChI Key | UAGODDXIGVGGBW-UHFFFAOYSA-N |
| MDL Number | MFCD18804164 |
| Molecular Formula | C14H19N3O3 |
| Molecular Weight | 277.3190 |
| SMILES | O=C(N1CCC(CC1)NC(=O)N)OCc1ccccc1 |
| Synonyms | 1427460-41-0,
Benzyl 4-[(aminocarbonyl)amino]piperidine-1-carboxylate,
Benzyl 4-[(aminocarbonyl)amino]-piperidine-1-carboxylate,
ZX-RL001558,
MFCD18804164,
ZINC95215903,
AKOS030232581,
AS-8893,
FCH2768640,
BBV-78418681,
OR110649,
benzyl 4-(carbamoylamino)piperidine-1-carboxylate,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.324g/mol |
| Monoisotopic Mass | 277.143g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number