2-(3-Chlorophenyl)piperazine - CAS 52385-79-2
Catalog: |
BB027806 |
Product Name: |
2-(3-Chlorophenyl)piperazine |
CAS: |
52385-79-2 |
Synonyms: |
2-(3-chlorophenyl)piperazine; 2-(3-chlorophenyl)piperazine |
IUPAC Name: | 2-(3-chlorophenyl)piperazine |
Description: | 2-(3-Chlorophenyl)piperazine (CAS# 52385-79-2) is a useful research chemical. |
Molecular Weight: | 196.68 |
Molecular Formula: | C10H13ClN2 |
Canonical SMILES: | C1CNC(CN1)C2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C10H13ClN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2 |
InChI Key: | XRVXSYWJPAAOBC-UHFFFAOYSA-N |
Boiling Point: | 318.7 °C at 760 mmHg |
Density: | 1.126 g/cm3 |
MDL: | MFCD00799218 |
LogP: | 2.23150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10407422-B2 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
US-2019023701-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
WO-2017040449-A1 | Triazolopyridine inhibitors of myeloperoxidase | 20150903 |
US-2013289047-A1 | Heteroarylthio derivatives and analogues | 20101014 |
WO-2012051601-A2 | Heteroarylthio compounds | 20101014 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.0767261 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.0767261 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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