| CAS Number | 1154665-52-7 |
| Catalog Number | AG01AAGJ |
| Chemical Name | 1-(4-amino-2-fluorophenyl)-N,N-dimethylpiperidin-4-amine |
| IUPAC Name | 1-(4-amino-2-fluorophenyl)-N,N-dimethylpiperidin-4-amine |
| InChI | InChI=1S/C13H20FN3/c1-16(2)11-5-7-17(8-6-11)13-4-3-10(15)9-12(13)14/h3-4,9,11H,5-8,15H2,1-2H3 |
| InChI Key | JJPGWMXCKDKAAH-UHFFFAOYSA-N |
| MDL Number | MFCD12439412 |
| Molecular Formula | C13H20FN3 |
| Molecular Weight | 237.3164 |
| SMILES | CN(C1CCN(C2=C(F)C=C(N)C=C2)CC1)C |
| Synonyms | 1-(4-amino-2-fluorophenyl)-N,N-dimethylpiperidin-4-amine,
1154665-52-7,
AC1Q3WL3,
SCHEMBL20374356,
ZINC36191179,
AKOS005853186,
MCULE-7313769740,
NE28243,
EN300-68553,
Z1160899479,
1-(4-Amino-2-fluorophenyl)-N,N-dimethylpiperidin-4-amine, AldrichCPR,
|
| Complexity | 239 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number