trans-1-Cinnamylpiperazine - CAS 87179-40-6
Catalog: |
BB038314 |
Product Name: |
trans-1-Cinnamylpiperazine |
CAS: |
87179-40-6 |
Synonyms: |
Piperazine, 1-[(2E)-3-phenyl-2-propen-1-yl]-; 1-[(2E)-3-Phenyl-2-propen-1-yl]piperazine; Piperazine, 1-(3-phenyl-2-propenyl)-, (E)-; Piperazine, 1-[(2E)-3-phenyl-2-propenyl]-; (E)-1-Cinnamylpiperazine; (E)-N-Cinnamylpiperazine; 1-((E)-3-Phenyl-2-propenyl)piperazine; 1-(trans-Cinnamyl)piperazine; 1-[(2E)-3-Phenylprop-2-enyl]piperazine; 1-[(E)-1-Phenyl-1-propen-3-yl]piperazine; 1-trans-1-Cinnamylpiperazine; N-((E)-Cinnamyl)piperazine; R 520; R 520 (pharmaceutical) |
Related CAS: | 219989-33-0 (monohydrochloride) 163596-56-3 (dihydrochloride) 114312-65-1 (Z-isomer) 18903-01-0 (rac-isomer)
|
IUPAC Name: | 1-[(E)-3-phenylprop-2-enyl]piperazine |
Description: | trans-1-Cinnamylpiperazine (CAS# 87179-40-6) is used in the synthesis of bile acid piperazinyl derivatives which display pro-apoptotic properties on carcinoma human cell lines. |
Molecular Weight: | 202.30 |
Molecular Formula: | C13H18N2 |
Canonical SMILES: | C1CN(CCN1)CC=CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/b7-4+ |
InChI Key: | WGEIOMTZIIOUMA-QPJJXVBHSA-N |
Boiling Point: | 341.7±30.0°C at 760 mmHg |
Melting Point: | 146-148°C |
Purity: | ≥95% |
Density: | 1.011±0.06 g/cm3 |
Appearance: | Clear to light yellow semi-solid |
MDL: | MFCD00063251 |
LogP: | 1.87170 |
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-2021194326-A1 | Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators | 20200327 |
CN-110967421-A | Method for detecting related substances of flunarizine hydrochloride preparation | 20191115 |
CN-108003177-B | Benzoxazine rifamycin derivative and preparation method and application thereof | 20171221 |
JP-2018178009-A | Adhesive composition for semiconductor device and adhesive tape for semiconductor device | 20170417 |
JP-6876499-B2 | Adhesive composition for semiconductor devices and adhesive tape for semiconductor devices | 20170417 |
PMID | Publication Date | Title | Journal |
18768321 | 20080915 | New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines | Bioorganic & medicinal chemistry |
15754830 | 20050201 | Analysis of flunarizine in the presence of some of its degradation products using micellar liquid chromatography (MLC) or microemulsion liquid chromatography (MELC)--application to dosage forms | Journal of separation science |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 202.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.146998583 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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