1-(4-Hydroxyphenyl)piperazine - CAS 56621-48-8
Catalog: |
BB029429 |
Product Name: |
1-(4-Hydroxyphenyl)piperazine |
CAS: |
56621-48-8 |
Synonyms: |
4-piperazin-1-ylphenol |
IUPAC Name: | 4-piperazin-1-ylphenol |
Description: | 1-(4-Hydroxyphenyl)piperazine (CAS# 56621-48-8) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C10H14N2O |
Canonical SMILES: | C1CN(CCN1)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2 |
InChI Key: | GPEOAEVZTOQXLG-UHFFFAOYSA-N |
Boiling Point: | 371.3 °C at 760 mmHg |
Density: | 1.141 g/cm3 |
MDL: | MFCD00066156 |
LogP: | 1.19560 |
GHS Hazard Statement: | H315 (91.11%): 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 |
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PMID | Publication Date | Title | Journal |
14985146 | 20040201 | In vivo metabolism of the new designer drug 1-(4-methoxyphenyl)piperazine (MeOPP) in rat and identification of the human cytochrome P450 enzymes responsible for the major metabolic step | Xenobiotica; the fate of foreign compounds in biological systems |
14643514 | 20031225 | Toxicological detection of the new designer drug 1-(4-methoxyphenyl)piperazine and its metabolites in urine and differentiation from an intake of structurally related medicaments using gas chromatography-mass spectrometry | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.110613074 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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