| CAS Number | 1393441-61-6 |
| Catalog Number | AG009X1T(AGN-PC-0WACKK) |
| Chemical Name | Benzyl N-[(dimethylcarbamoyl)(phenyl)methyl]carbamate |
| IUPAC Name | benzyl N-[2-(dimethylamino)-2-oxo-1-phenylethyl]carbamate |
| InChI | InChI=1S/C18H20N2O3/c1-20(2)17(21)16(15-11-7-4-8-12-15)19-18(22)23-13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3,(H,19,22) |
| InChI Key | NMJWPHNWHMPBOP-UHFFFAOYSA-N |
| MDL Number | MFCD22383735 |
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.3630 |
| SMILES | O=C(NC(C(=O)N(C)C)c1ccccc1)OCc1ccccc1 |
| Synonyms | BENZYL N-[(DIMETHYLCARBAMOYL)(PHENYL)METHYL]CARBAMATE,
1393441-61-6,
KM3940,
AKOS026673151,
V2894,
C18H20N2O3,
Benzyl (S)-(2-(dimethylamino)-2-oxo-1-phenylethyl)carbamate,
394734-93-1,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.369g/mol |
| Monoisotopic Mass | 312.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number