1-(2-Pyrimidyl)piperazine dihydrochloride - CAS 94021-22-4
Catalog: |
BB041172 |
Product Name: |
1-(2-Pyrimidyl)piperazine dihydrochloride |
CAS: |
94021-22-4 |
Synonyms: |
2-piperazin-1-ylpyrimidine;dihydrochloride |
IUPAC Name: | 2-piperazin-1-ylpyrimidine;dihydrochloride |
Description: | 1-(2-Pyrimidyl)piperazine dihydrochloride (CAS# 94021-22-4) is a useful research chemical. |
Molecular Weight: | 237.13 |
Molecular Formula: | C8H12N4 · 2HCl |
Canonical SMILES: | C1CN(CCN1)C2=NC=CC=N2.Cl.Cl |
InChI: | InChI=1S/C8H12N4.2ClH/c1-2-10-8(11-3-1)12-6-4-9-5-7-12;;/h1-3,9H,4-7H2;2*1H |
InChI Key: | ZNZGJSLHXOMREP-UHFFFAOYSA-N |
Boiling Point: | 304.6 °C at 760 mmHg |
Melting Point: | 282-287 °C (lit.) |
Purity: | 98 % |
Appearance: | White to very slightly beige powder |
MDL: | MFCD00012779 |
LogP: | 1.88400 |
GHS Hazard Statement: | H315 (97.83%): 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-2021011670-A1 | Adenosine a2a receptor antagonists and uses thereof | 20190717 |
CN-104402821-A | Nitrogen-oxygen free radical compound with anti-hypoxia injury activity and preparation and application thereof | 20141204 |
EP-2858995-A1 | Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase | 20120607 |
JP-2015522557-A | Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase | 20120607 |
US-2013331375-A1 | Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase | 20120607 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0595519 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0595519 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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