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5464-78-8 molecular structure
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1-(2-methoxyphenyl)piperazine

ChemBase ID: 32151
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
N1(CCNCC1)c1c(cccc1)OC
Canonical SMILES:
COc1ccccc1N1CCNCC1
InChI:
InChI=1S/C11H16N2O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey:
VNZLQLYBRIOLFZ-UHFFFAOYSA-N

Cite this record

CBID:32151 http://www.chembase.cn/molecule-32151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxyphenyl)piperazine
IUPAC Traditional name
1-(2-methoxyphenyl)piperazine
Synonyms
1-(o-METHOXYPHENYL)PIPERAZINE
1-(2-Methoxyphenyl)-piperazine
1-(o-Methoxyphenyl)-piperazine
1-(2-Methoxyphenyl)piperazine
1-(o-Anisyl)piperazine
1-(o-Methoxyphenyl)piperazine
1-[2-(Methyloxy)phenyl]piperazine
D 15157
N-(2-Methoxyphenyl)piperazine
N-(o-Methoxyphenyl)piperazine
o-Methoxyphenylpiperazine
1-(2-Methoxyphenyl)piperazine
2-MPP
1-(2-METHOXYPHENYL) PIPERAZINE
1-(2-Methoxyphenyl)piperazine
1-(2-甲氧苯基)哌嗪
CAS Number
5464-78-8
35386-24-4
EC Number
226-762-6
252-537-7
MDL Number
MFCD00005958
Beilstein Number
167888
PubChem SID
24896714
160995458
24883872
PubChem CID
1346

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6008211  LogD (pH = 7.4) -0.06333706 
Log P 1.3876901  Molar Refractivity 57.7052 cm3
Polarizability 22.153334 Å3 Polar Surface Area 24.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Colourless to Pale Yellow Oil expand Show data source
Melting Point
217 - 219°C expand Show data source
35-39°C expand Show data source
35-40 °C(lit.) expand Show data source
37-40°C expand Show data source
Boiling Point
110-112°C/1mm expand Show data source
130-133 °C/0.1 mmHg(lit.) expand Show data source
130-133°C/0.1mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.095 g/mL at 25 °C(lit.) expand Show data source
1.106 expand Show data source
Refractive Index
n20/D 1.575(lit.) expand Show data source
n20/D 1.576 expand Show data source
Hydrophobicity(logP)
1.104 expand Show data source
Storage Condition
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3263 expand Show data source
UN2923 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
25-34 expand Show data source
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H314-H318 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3263 8/PG 3 expand Show data source
Gene Information
mouse ... Htr3a(15561)rat ... Adra1a(29412), Drd2(24318), Htr1a(24473), Htr2a(29595), Htr7(65032) expand Show data source
Purity
≥97.0% (NT) expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
98-99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Impurities
≤3% water expand Show data source
Empirical Formula (Hill Notation)
C11H16N2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05212491 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02151629 external link
Hydrochloride
Selective 5-HT1 receptor agonist
Crystalline
Purity: 98-99%
Sigma Aldrich - M22601 external link
Packaging
5, 25 g in glass bottle
Sigma Aldrich - 65225 external link
Caution
may solidify at room temperature
Toronto Research Chemicals - M266220 external link
A piperazine derivative and a selective antagonist at D3 receptors that influences the expression of cocaine-induced conditioned place preference (CPP).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Byrska, B. et al.: Zagadnien Nauk Sadowych 81, 101 (2010)
  • • Cervo, L. et al.: Pharmacol Biochem Be 82, 727 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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