3-Chloro-4-piperazinobenzoic Acid - CAS 1197193-06-8
Catalog: |
BB004585 |
Product Name: |
3-Chloro-4-piperazinobenzoic Acid |
CAS: |
1197193-06-8 |
Synonyms: |
3-chloro-4-(1-piperazinyl)benzoic acid; 3-chloro-4-piperazin-1-ylbenzoic acid |
IUPAC Name: | 3-chloro-4-piperazin-1-ylbenzoic acid |
Description: | 3-Chloro-4-piperazinobenzoic Acid acts as a reagent in the preparation of piperazinylquinazolines and related compounds as agonist of neurotensin receptor 1. |
Molecular Weight: | 240.69 |
Molecular Formula: | C11H13ClN2O2 |
Canonical SMILES: | C1CN(CCN1)C2=C(C=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C11H13ClN2O2/c12-9-7-8(11(15)16)1-2-10(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16) |
InChI Key: | IXUFWLAEWINGMN-UHFFFAOYSA-N |
LogP: | 1.84160 |
Publication Number | Title | Priority Date |
CA-2895129-A1 | Quinazoline neurotensin receptor 1 agonists and uses thereof | 20121220 |
EP-2938608-A1 | Small molecule agonists of neurotensin receptor 1 | 20121220 |
JP-2016507501-A | Neurotensin receptor 1 small molecule agonist | 20121220 |
JP-6391120-B2 | Neurotensin receptor 1 small molecule agonist | 20121220 |
US-2015329497-A1 | Small molecule agonists of neurotensin receptor 1 | 20121220 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.0665554 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.0665554 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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