| CAS Number | 911705-40-3 |
| Catalog Number | AG00GUBK(AGN-PC-0WCYBV) |
| Chemical Name | tert-butyl 3-oxo-2-phenylpiperazine-1-carboxylate |
| IUPAC Name | tert-butyl 3-oxo-2-phenylpiperazine-1-carboxylate |
| InChI | InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)17-10-9-16-13(18)12(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,18) |
| InChI Key | XWYOGPGTTFWZAP-UHFFFAOYSA-N |
| MDL Number | MFCD28579819 |
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.3309 |
| SMILES | O=C(N1C(C2=CC=CC=C2)C(NCC1)=O)OC(C)(C)C |
| Synonyms | tert-butyl 3-oxo-2-phenylpiperazine-1-carboxylate,
911705-40-3,
3-Oxo-2-phenyl-piperazine-1-carboxylic acid tert-butyl ester,
SCHEMBL2539220,
KS-00001AGJ,
XWYOGPGTTFWZAP-UHFFFAOYSA-N,
CS-D0486,
MFCD28579819,
AKOS027255478,
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| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.336g/mol |
| Monoisotopic Mass | 276.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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UN Code
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Certificate of Analysis
Lot Number