| CAS Number | 876715-91-2 |
| Catalog Number | AG0192WH(AGN-PC-0WOWSP) |
| Chemical Name | 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine |
| IUPAC Name | 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine |
| InChI | InChI=1S/C13H20FN3/c1-16-6-8-17(9-7-16)13(10-15)11-2-4-12(14)5-3-11/h2-5,13H,6-10,15H2,1H3 |
| InChI Key | SGZLJAMRWOGKGC-UHFFFAOYSA-N |
| MDL Number | MFCD07643222 |
| Molecular Formula | C13H20FN3 |
| Molecular Weight | 237.3164 |
| SMILES | CN1CCN(C(C2=CC=C(F)C=C2)CN)CC1 |
| Synonyms | 2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanamine,
876715-91-2,
[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]amine,
2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethan-1-amine,
BAS 10145855,
AC1O5H6P,
SCHEMBL3473785,
CTK7E2423,
SGZLJAMRWOGKGC-UHFFFAOYSA-N,
AKOS000138296,
AKOS016050033,
VU0494864-1,
L-4812,
F2186-0625,
2-(4-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethylamine,
CID6484141,
|
| Complexity | 221 |
| 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 | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number