1-(2-Ethoxyphenyl)piperazine monohydrochloride - CAS 83081-75-8
Catalog: |
BB036964 |
Product Name: |
1-(2-Ethoxyphenyl)piperazine monohydrochloride |
CAS: |
83081-75-8 |
Synonyms: |
1-(2-ethoxyphenyl)piperazine;hydrochloride |
IUPAC Name: | 1-(2-ethoxyphenyl)piperazine;hydrochloride |
Description: | 1-(2-Ethoxyphenyl)piperazine monohydrochloride (CAS# 83081-75-8) is used in preparation of piperazinylquinazolines and related compounds as neurotensin 1 agonists. |
Molecular Weight: | 242.75 |
Molecular Formula: | C12H18N2O · HCl |
Canonical SMILES: | CCOC1=CC=CC=C1N2CCNCC2.Cl |
InChI: | InChI=1S/C12H18N2O.ClH/c1-2-15-12-6-4-3-5-11(12)14-9-7-13-8-10-14;/h3-6,13H,2,7-10H2,1H3;1H |
InChI Key: | OPDWQXGKXOCCDT-UHFFFAOYSA-N |
Boiling Point: | 375.1 °C at 760 mmHg |
Appearance: | White powder |
MDL: | MFCD00012763 |
LogP: | 2.69070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2014228568-A1 | Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof | 20130208 |
US-8883796-B2 | Biphenyl derivatives, pharmaceutical composition comprising the same, and preparation method thereof | 20130208 |
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 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.1185909 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.1185909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 24.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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