| CAS Number | 1420800-29-8 |
| Catalog Number | AG009X45(AGN-PC-0WAF37) |
| Chemical Name | t-Butyl N-[2-(2-chloro-2-phenylacetamido)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-[(2-chloro-2-phenylacetyl)amino]ethyl]carbamate |
| InChI | InChI=1S/C15H21ClN2O3/c1-15(2,3)21-14(20)18-10-9-17-13(19)12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)(H,18,20) |
| InChI Key | NQOXRAPQSCGNMP-UHFFFAOYSA-N |
| MDL Number | MFCD22689077 |
| Molecular Formula | C15H21ClN2O3 |
| Molecular Weight | 312.7918 |
| SMILES | ClC(c1ccccc1)C(=O)NCCNC(=O)OC(C)(C)C |
| Synonyms | T-BUTYL N-[2-(2-CHLORO-2-PHENYLACETAMIDO)ETHYL]CARBAMATE,
1420800-29-8,
KM3539,
AKOS026673330,
V3153,
C15H21ClN2O3,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.794g/mol |
| Monoisotopic Mass | 312.124g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number