4-(4-Methylpiperazino)benzoic Acid - CAS 86620-62-4
Catalog: |
BB038005 |
Product Name: |
4-(4-Methylpiperazino)benzoic Acid |
CAS: |
86620-62-4 |
Synonyms: |
4-(4-methyl-1-piperazinyl)benzoic acid; 4-(4-methylpiperazin-1-yl)benzoic acid |
IUPAC Name: | 4-(4-methylpiperazin-1-yl)benzoic acid |
Description: | 4-(4-Methylpiperazino)benzoic Acid (CAS# 86620-62-4) is a useful research chemical. |
Molecular Weight: | 220.27 |
Molecular Formula: | C12H16N2O2 |
Canonical SMILES: | CN1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16) |
InChI Key: | UCFZVQHKTRSZMM-UHFFFAOYSA-N |
Boiling Point: | 393.9 °C at 760 mmHg |
Density: | 1.188 g/cm3 |
MDL: | MFCD02682063 |
LogP: | 1.13950 |
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-2021005583-A1 | Camptothecin derivatives with a disulfide moiety and a piperazine moiety | 20190711 |
EP-3725777-A1 | Benzo- and pyrido-pyrazoles as protein kinase inhibitors | 20190417 |
WO-2020132459-A1 | Quinolinyl-pyrazine-carboxamide compounds and uses thereof | 20181220 |
WO-2019246541-A1 | Inhibitors of egfr and methods of use thereof | 20180621 |
WO-2019121661-A1 | Radiolabeled compounds | 20171221 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.121177757 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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