1-(4-Benzothienyl)piperazine Hydrochloride - CAS 913614-18-3
Catalog: |
BB040134 |
Product Name: |
1-(4-Benzothienyl)piperazine Hydrochloride |
CAS: |
913614-18-3 |
Synonyms: |
1-(1-benzothiophen-4-yl)piperazine;hydrochloride; 1-(1-benzothiophen-4-yl)piperazine;hydrochloride |
IUPAC Name: | 1-(1-benzothiophen-4-yl)piperazine;hydrochloride |
Description: | 1-(4-Benzothienyl)piperazine Hydrochloride (CAS# 913614-18-3) is the starting material to prepare piperazine-substituted benzothiophenes useful in treatment and prevention of mental disorders including CNS disorders. |
Molecular Weight: | 254.78 |
Molecular Formula: | C12H15ClN2S |
Canonical SMILES: | C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl |
InChI: | InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H |
InChI Key: | XDUUWPNOUUQXBX-UHFFFAOYSA-N |
LogP: | 3.50670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112858524-A | Detection method and application of brexpiprazole related substance | 20210225 |
CN-111440158-A | Novel crystal form of brexpiprazole hydrochloride and preparation method thereof | 20200324 |
CN-113372336-A | Preparation method and application of brexpiprazole | 20200225 |
CN-109970705-A | A method of it is standby according to piperazine azoles intermediate and according to a piperazine azoles using cheap metal copper | 20190514 |
CN-109970705-B | Method for preparing brexpiprazole intermediate and brexpiprazole by using cheap metal copper | 20190514 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0644474 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0644474 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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