(S)-1,4-Di-Boc-2-(hydroxymethyl)piperazine - CAS 958635-12-6
Catalog: |
BB041865 |
Product Name: |
(S)-1,4-Di-Boc-2-(hydroxymethyl)piperazine |
CAS: |
958635-12-6 |
Synonyms: |
(2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylic acid ditert-butyl ester; ditert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate |
IUPAC Name: | ditert-butyl (2S)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate |
Description: | (S)-1,4-Di-Boc-2-(hydroxymethyl)piperazine (CAS# 958635-12-6 ) is a useful research chemical. |
Molecular Weight: | 316.39 |
Molecular Formula: | C15H28N2O5 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(C(C1)CO)C(=O)OC(C)(C)C |
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-/m0/s1 |
InChI Key: | TXCFQKQBPSGAKK-NSHDSACASA-N |
Boiling Point: | 406.9±20.0 °C (760 mmHg) |
Density: | 1.123±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | 1.71090 |
Publication Number | Title | Priority Date |
EP-3313832-A1 | 3-tetrazolyl-benzene-1,2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 20150626 |
WO-2016210215-A1 | 3-tetrazolyl-benzene-1,2-disulfonamide derivatives as metallo-beta-lactamase inhibitors | 20150626 |
TW-I715595-B | Metallo-beta-lactamase inhibitors | 20150626 |
EP-3303328-B1 | Aminoester derivatives | 20150601 |
US-2016346268-A1 | Aminoester derivatives | 20150601 |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 316.199822 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 316.199822 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 79.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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