| CAS Number | 1823395-32-9 |
| Catalog Number | AG019EM9(AGN-PC-0WG4TH) |
| Chemical Name | tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate |
| IUPAC Name | tert-butyl 4-hydroxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxylate |
| InChI | InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-7-10-5-4-6-14(10)8-11(16)9-15/h4-6,11,16H,7-9H2,1-3H3 |
| InChI Key | MIQDTHRSKHBIRP-UHFFFAOYSA-N |
| MDL Number | MFCD28119015 |
| Molecular Formula | C13H20N2O3 |
| Molecular Weight | 252.3095 |
| SMILES | CC(C)(C)OC(=O)N1CC(O)Cn2cccc2C1 |
| Synonyms | 1823395-32-9,
tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate,
MFCD28119015,
CS-0038640,
t-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate,
Tert-Butyl 4-Hydroxy-4,5-Dihydro-1H-Pyrrolo[1,2-A][1,4]Diazepine-2(3H)-Carboxylate(WX141774),
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.314g/mol |
| Monoisotopic Mass | 252.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number