1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride - CAS 52605-52-4
Catalog: |
BB027882 |
Product Name: |
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine monohydrochloride |
CAS: |
52605-52-4 |
Synonyms: |
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride |
Related CAS: | 39577-43-0 (Free base)
|
IUPAC Name: | 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine;hydrochloride |
Description: | One of the impurities of Trazodone, which has been found to be effective as an antidepressant agent. |
Molecular Weight: | 309.66 |
Molecular Formula: | C13H18Cl2N2 · HCl |
Canonical SMILES: | C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl |
InChI: | InChI=1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H |
InChI Key: | JVLRNANYLVRULL-UHFFFAOYSA-N |
Boiling Point: | 395.8 °C at 760 mmHg |
Melting Point: | 197-201 °C |
Appearance: | Off-white solid |
MDL: | MFCD00067039 |
LogP: | 3.89580 |
GHS Hazard Statement: | H302 (19.74%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2017166050-A1 | Method for preparing trazodone hydrochloride | 20160329 |
EP-3097099-A1 | An improved process for the preparation of trazodone and hydrochloride salt thereof | 20140121 |
WO-2015110883-A1 | An improved process for the preparation of trazodone and hydrochloride salt thereof | 20140121 |
US-2011118464-A1 | Halogenated xanthine derivatives and precursors thereof for anti-cancer and anti-metastasis activity and preparing method thereof | 20091118 |
EP-2285373-A2 | Treatment of organophosphate exposure with tetrahydroindolone arylpiperazine compounds | 20080418 |
PMID | Publication Date | Title | Journal |
11516915 | 20011101 | LC determination and purity evaluation of nefazodone HCl in bulk drug and pharmaceutical formulations | Journal of pharmaceutical and biomedical analysis |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 308.061382 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 308.061382 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 6.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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