1-(3-Methoxyphenyl)piperazine Dihydrochloride - CAS 6968-76-9
Catalog: |
BB033929 |
Product Name: |
1-(3-Methoxyphenyl)piperazine Dihydrochloride |
CAS: |
6968-76-9 |
Synonyms: |
1-(3-methoxyphenyl)piperazine;dihydrochloride; 1-(3-methoxyphenyl)piperazine;dihydrochloride |
IUPAC Name: | 1-(3-methoxyphenyl)piperazine;dihydrochloride |
Description: | 1-(3-Methoxyphenyl)piperazine Dihydrochloride (CAS# 6968-76-9) is a useful research chemical. |
Molecular Weight: | 265.18 |
Molecular Formula: | C11H18Cl2N2O |
Canonical SMILES: | COC1=CC=CC(=C1)N2CCNCC2.Cl.Cl |
InChI: | InChI=1S/C11H16N2O.2ClH/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H |
InChI Key: | UKUNKQNESKRETR-UHFFFAOYSA-N |
Boiling Point: | 344 °C at 760 mmHg |
Appearance: | White - grey crystalline powder |
MDL: | MFCD00035285 |
LogP: | 3.10260 |
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-2020020097-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180723 |
US-2021300936-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180723 |
AU-2014280395-A1 | Novel compounds for the treatment of cancer | 20130610 |
CA-2914668-A1 | Novel compounds for the treatment of cancer | 20130610 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.0796186 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.0796186 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 24.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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