| CAS Number | 1159598-21-6 |
| Catalog Number | AG00HD4X(AGN-PC-0WR228) |
| Chemical Name | (R)-1,4-(di-Boc)-2-(hydroxymethyl)piperazine |
| IUPAC Name | ditert-butyl (2R)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate |
| InChI | InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-7-8-17(11(9-16)10-18)13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3/t11-/m1/s1 |
| InChI Key | TXCFQKQBPSGAKK-LLVKDONJSA-N |
| MDL Number | MFCD28968067 |
| Molecular Formula | C15H28N2O5 |
| Molecular Weight | 316.3932 |
| SMILES | C(=O)(OC(C)(C)C)N1[C@@H](CO)CN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1159598-21-6,
(R)-1,4-(Di-Boc)-2-(hydroxymethyl)piperazine,
SCHEMBL18850,
(R)-Di-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate,
TXCFQKQBPSGAKK-LLVKDONJSA-N,
Di-tert-butyl (2R)-2-(hydroxymethyl)-1,4-piperazinedicarboxyl ate,
MFCD28968067,
ZINC91297446,
AS-37848,
AJ-129444,
di-tert-butyl (2R)-2-(hydroxymethyl)-1,4-piperazinedicarboxylate,
(R)-2-hydroxymethyl-piperazine-1,4-dicarboxylic acid di-tert-butyl ester,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.398g/mol |
| Monoisotopic Mass | 316.2g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number