| CAS Number | 353495-62-2 |
| Catalog Number | AG00CLTR(AGN-PC-0RAS89) |
| Chemical Name | 1-Boc-4-(cbz-aminomethylcarbonyl)piperazine |
| IUPAC Name | tert-butyl 4-[2-(phenylmethoxycarbonylamino)acetyl]piperazine-1-carboxylate |
| InChI | InChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)22-11-9-21(10-12-22)16(23)13-20-17(24)26-14-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,20,24) |
| InChI Key | BCJPGCMWBMOTGB-UHFFFAOYSA-N |
| MDL Number | MFCD22549303 |
| Molecular Formula | C19H27N3O5 |
| Molecular Weight | 377.4348 |
| SMILES | O=C(N1CCN(CC1)C(=O)OC(C)(C)C)CNC(=O)OCc1ccccc1 |
| Synonyms | 1-BOC-4-(CBZ-AMINOMETHYLCARBONYL)PIPERAZINE,
353495-62-2,
SCHEMBL3049200,
BCJPGCMWBMOTGB-UHFFFAOYSA-N,
KM3528,
ZINC95217803,
V5443,
4-(2-benzyloxycarbonylamino-acetyl)-piperazine-1-carboxylic acid tert-butyl ester,
TERT-BUTYL 4-(2-{[(BENZYLOXY)CARBONYL]AMINO}ACETYL)PIPERAZINE-1-CARBOXYLATE,
C19H27N3O5,
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| Complexity | 518 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 377.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 377.441g/mol |
| Monoisotopic Mass | 377.195g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number