1-(2,3-Xylyl)piperazine monohydrochloride - CAS 80836-96-0
Catalog: |
BB036560 |
Product Name: |
1-(2,3-Xylyl)piperazine monohydrochloride |
CAS: |
80836-96-0 |
Synonyms: |
1-(2,3-dimethylphenyl)piperazine;hydrochloride |
IUPAC Name: | 1-(2,3-dimethylphenyl)piperazine;hydrochloride |
Description: | 1-(2,3-Xylyl)piperazine monohydrochloride (CAS# 80836-96-0) is a useful research chemical. |
Molecular Weight: | 226.75 |
Molecular Formula: | C12H18N2 · HCl |
Canonical SMILES: | CC1=C(C(=CC=C1)N2CCNCC2)C.Cl |
InChI: | InChI=1S/C12H18N2.ClH/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14;/h3-5,13H,6-9H2,1-2H3;1H |
InChI Key: | SHOLVQVIKRVCGQ-UHFFFAOYSA-N |
Boiling Point: | 95 °C (0.2 torr) |
Melting Point: | 300-97 °C |
Purity: | 98 % |
Density: | 0.999 g/cm3 |
MDL: | MFCD00012760 |
LogP: | 2.90880 |
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 |
WO-2020112581-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
EP-3886845-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
US-9598361-B1 | Amino substituted acetamide derivative | 20160412 |
EP-3372600-A1 | Fused heterocyclic compound derivative and application thereof | 20151026 |
JP-2018536652-A | Fused heterocyclic compound derivatives and applications thereof | 20151026 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.1236763 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.1236763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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