| CAS Number | 1019552-56-7 |
| Catalog Number | AG019WNB |
| Chemical Name | 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine |
| InChI | InChI=1S/C13H20FN3/c1-10(15)11-3-4-13(12(14)9-11)17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,15H2,1-2H3 |
| InChI Key | ADKKOBXDYXKTOY-UHFFFAOYSA-N |
| MDL Number | MFCD11137053 |
| Molecular Formula | C13H20FN3 |
| Molecular Weight | 237.3164 |
| SMILES | CC(C1=CC(F)=C(N2CCN(C)CC2)C=C1)N |
| Synonyms | 1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine,
1019552-56-7,
AC1Q2B7I,
CTK6I3047,
AKOS000219979,
MCULE-4123370437,
NE48187,
EN300-52481,
Z763367848,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.322g/mol |
| Monoisotopic Mass | 237.164g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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