| CAS Number | 1245643-13-3 |
| Catalog Number | AG000M8J |
| Chemical Name | (R)-4-benzyl-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid |
| IUPAC Name | (2R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
| InChI | InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)19-10-9-18(12-14(19)15(20)21)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,20,21)/t14-/m1/s1 |
| InChI Key | ZGEORLKSWXAMBW-CQSZACIVSA-N |
| MDL Number | MFCD12755495 |
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.3835 |
| SMILES | C(C1=CC=CC=C1)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C(=O)O |
| Synonyms | 1245643-13-3,
(R)-4-benzyl-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid,
(R)-1-Boc-4-benzylpiperazine-2-carboxylic acid,
CTK7I3600,
DTXSID10654578,
ZINC8698783,
MFCD12755495,
AKOS015841606,
FCH3605541,
MB12004,
AJ-74969,
AK134001,
AB0000488,
AX8255552,
ST2401602,
TC-065387,
S-0189,
755B495,
(R)-4-Benzyl-1-(t-butoxycarbonyl)piperazine-2-carboxylic acid,
(2R)-4-Benzyl-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid,
(R)-4-Benzyl-1-(tert-butoxycarbonyl)piperazine-2-carboxylicacid,
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| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.389g/mol |
| Monoisotopic Mass | 320.174g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number