1-(3,4-Dichlorobenzyl)piperazine - CAS 55513-17-2
Catalog: |
BB029072 |
Product Name: |
1-(3,4-Dichlorobenzyl)piperazine |
CAS: |
55513-17-2 |
Synonyms: |
1-[(3,4-dichlorophenyl)methyl]piperazine |
IUPAC Name: | 1-[(3,4-dichlorophenyl)methyl]piperazine |
Description: | 1-(3,4-Dichlorobenzyl)piperazine (CAS# 55513-17-2) is a useful research chemical. |
Molecular Weight: | 245.15 |
Molecular Formula: | C11H14Cl2N2 |
Canonical SMILES: | C1CN(CCN1)CC2=CC(=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C11H14Cl2N2/c12-10-2-1-9(7-11(10)13)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2 |
InChI Key: | PNDSYXGJCWKNFG-UHFFFAOYSA-N |
Purity: | 95 % |
Density: | 1.225 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD03407488 |
LogP: | 2.66530 |
GHS Hazard Statement: | H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021102600-A1 | Benzyl piperazine compound, preparation method therefor and application thereof in antivirus | 20191129 |
CN-110698432-A | Benzyl piperazine compound, preparation method thereof and application thereof in antivirus | 20181107 |
WO-2019194769-A2 | Anti cancer and anti tyrosinase activities of kojic acid derived compounds | 20171212 |
EP-3310778-A1 | Kojic acid-derived mannich bases with biological effect | 20150622 |
EP-3310778-B1 | Kojic acid-derived mannich bases with biological effect | 20150622 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0534038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0534038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 15.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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