1-(3-Fluorobenzyl)piperazine - CAS 55513-19-4
Catalog: |
BB029073 |
Product Name: |
1-(3-Fluorobenzyl)piperazine |
CAS: |
55513-19-4 |
Synonyms: |
1-[(3-fluorophenyl)methyl]piperazine |
IUPAC Name: | 1-[(3-fluorophenyl)methyl]piperazine |
Description: | 1-(3-Fluorobenzyl)piperazine (CAS# 55513-19-4) is a reagent in the preparation of N-(pyridinylmethyl)dimethyl(oxo)pyrrolo[3,2-d]pyrimidinyl)benzenesulfonamide derivatives as A2B adenosine receptor antagonists. |
Molecular Weight: | 194.25 |
Molecular Formula: | C11H15FN2 |
Canonical SMILES: | C1CN(CCN1)CC2=CC(=CC=C2)F |
InChI: | InChI=1S/C11H15FN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2 |
InChI Key: | ITHBJSRWFNLKIH-UHFFFAOYSA-N |
Boiling Point: | 281.3 °C / 760 mmHg |
Purity: | 97+ % |
Density: | 1.106 g/cm3 |
Appearance: | Colorless to yellow to orange liquid |
MDL: | MFCD02242870 |
LogP: | 1.49760 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214275-A | Pyranocarbazole alkaloid derivatives and their use for treating nervous system diseases | 20200204 |
EP-3796900-A1 | Triterpene amine derivatives | 20180629 |
US-2021253627-A1 | Triterpene amine derivatives | 20180629 |
KR-20200001718-A | NOVEL PYRROLO[2,3-d]PYRIMIDIN-4-ONE DERIVATIVES AND COMPOSITIONS FOR PREVENTING OR TREATING CANCER CONTAINING THE SAME | 20180628 |
KR-102133569-B1 | NOVEL PYRROLO[2,3-d]PYRIMIDIN-4-ONE DERIVATIVES AND COMPOSITIONS FOR PREVENTING OR TREATING CANCER CONTAINING THE SAME | 20180628 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.12192665 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.12192665 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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