| CAS Number | 1790805-35-4 |
| Catalog Number | AG00HZXC(AGN-PC-0WRAFH) |
| Chemical Name | Benzyl (1-methyl-5-oxopyrrolidin-3-yl)carbamate |
| IUPAC Name | benzyl N-(1-methyl-5-oxopyrrolidin-3-yl)carbamate |
| InChI | InChI=1S/C13H16N2O3/c1-15-8-11(7-12(15)16)14-13(17)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,14,17) |
| InChI Key | LJZLFXVXFXIIBV-UHFFFAOYSA-N |
| MDL Number | MFCD29035365 |
| Molecular Formula | C13H16N2O3 |
| Molecular Weight | 248.2777 |
| SMILES | CN1CC(CC1=O)NC(OCC1=CC=CC=C1)=O |
| Synonyms | 1790805-35-4,
Benzyl (1-methyl-5-oxopyrrolidin-3-yl)carbamate,
BENZYL N-(1-METHYL-5-OXOPYRROLIDIN-3-YL)CARBAMATE,
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| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.282g/mol |
| Monoisotopic Mass | 248.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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