| CAS Number | 2177267-32-0 |
| Catalog Number | AG01EFN8 |
| Chemical Name | tert-butyl 4-(2-hydroxyethyl)-1H,2H,3H,4H,5H-pyrrolo[1,2-a][1,4]diazepine-2-carboxylate |
| IUPAC Name | tert-butyl 4-(2-hydroxyethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylate |
| InChI | InChI=1S/C15H24N2O3/c1-15(2,3)20-14(19)17-10-12(6-8-18)9-16-7-4-5-13(16)11-17/h4-5,7,12,18H,6,8-11H2,1-3H3 |
| InChI Key | LBVREACQBHRHOW-UHFFFAOYSA-N |
| MDL Number | MFCD31579950 |
| Molecular Formula | C15H24N2O3 |
| Molecular Weight | 280.3627 |
| SMILES | CC(C)(C)OC(=O)N1CC(CCO)Cn2cccc2C1 |
| Synonyms | Tert-Butyl 4-(2-Hydroxyethyl)-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate,
CS-0039686,
2177267-32-0,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.368g/mol |
| Monoisotopic Mass | 280.179g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number