| CAS Number | 850834-14-9 |
| Catalog Number | AG00G9R5(AGN-PC-03ZSU7) |
| Chemical Name | 1,1-Dimethylethyl 3-(hydroxymethyl)-4-(phenylmethyl)-1-piperazinecarboxylate |
| IUPAC Name | tert-butyl 4-benzyl-3-(hydroxymethyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-10-9-18(15(12-19)13-20)11-14-7-5-4-6-8-14/h4-8,15,20H,9-13H2,1-3H3 |
| InChI Key | TZEGNOJOGOONAV-UHFFFAOYSA-N |
| MDL Number | MFCD24470079 |
| Molecular Formula | C17H26N2O3 |
| Molecular Weight | 306.3999 |
| SMILES | O=C(OC(C)(C)C)N1CCN(CC=2C=CC=CC2)C(CO)C1 |
| Synonyms | tert-butyl 4-benzyl-3-(hydroxymethyl)piperazine-1-carboxylate,
850834-14-9,
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester,
SCHEMBL2063153,
TZEGNOJOGOONAV-UHFFFAOYSA-N,
MFCD24470079,
AKOS024262527,
ACN-051165,
tert-Butyl4-benzyl-3-(hydroxymethyl)piperazine-1-carboxylate,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.406g/mol |
| Monoisotopic Mass | 306.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number