1-Z-Piperazine - CAS 31166-44-6
Catalog: |
BB020817 |
Product Name: |
1-Z-Piperazine |
CAS: |
31166-44-6 |
Synonyms: |
benzyl piperazine-1-carboxylate |
IUPAC Name: | benzyl piperazine-1-carboxylate |
Description: | 1-Z-Piperazine (CAS# 31166-44-6) is used in the synthesis of serotonin 5-HT6 and dopamine D2 receptor ligands (1,2). It can also be used for the synthesis of a 11-C labelled ligands for imaging vesicular acetylcholine transporter. |
Molecular Weight: | 220.27 |
Molecular Formula: | C12H16N2O2 |
Canonical SMILES: | C1CN(CCN1)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2 |
InChI Key: | CTOUWUYDDUSBQE-UHFFFAOYSA-N |
Boiling Point: | 352.4 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.142 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00274317 |
LogP: | 1.49510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679292-A | Synthesis method of secondary sulfonamide compound | 20201225 |
CN-112142735-A | Condensed cyanopyridine compound, preparation method and application | 20200409 |
CN-112142735-B | Condensed cyanopyridine compound, preparation method and application | 20200409 |
WO-2021207172-A1 | Compounds and methods for targeted degradation of kras | 20200406 |
WO-2021194318-A1 | Plk1 selective degradation inducing compound | 20200327 |
PMID | Publication Date | Title | Journal |
21866101 | 20110824 | Small molecule inhibitors reveal Niemann-Pick C1 is essential for Ebola virus infection | Nature |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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