3-Fluoro-4-(4-methyl-1-piperazinyl)aniline - CAS 221198-99-8
Catalog: |
BB017397 |
Product Name: |
3-Fluoro-4-(4-methyl-1-piperazinyl)aniline |
CAS: |
221198-99-8 |
Synonyms: |
3-fluoro-4-(4-methyl-1-piperazinyl)aniline; 3-fluoro-4-(4-methylpiperazin-1-yl)aniline |
IUPAC Name: | 3-fluoro-4-(4-methylpiperazin-1-yl)aniline |
Description: | 3-Fluoro-4-(4-methyl-1-piperazinyl)aniline (CAS# 221198-99-8) is a useful research chemical. |
Molecular Weight: | 209.26 |
Molecular Formula: | C11H16FN3 |
Canonical SMILES: | CN1CCN(CC1)C2=C(C=C(C=C2)N)F |
InChI: | InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3 |
InChI Key: | GOPUCAPKOUZKPS-UHFFFAOYSA-N |
Boiling Point: | 349.457 ℃ at 760 mmHg |
Density: | 1.167 g/cm3 |
MDL: | MFCD05663793 |
LogP: | 1.74380 |
Publication Number | Title | Priority Date |
WO-2020259683-A1 | 2,4-disubstituted pyrimidine derivative, preparation method for same, and uses thereof | 20190628 |
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Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.13282569 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.13282569 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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