| CAS Number | 258864-26-5 |
| Catalog Number | AG01A8WH(AGN-PC-03SVXQ) |
| Chemical Name | 3-Fluoro-5-(pyrrolidin-1-yl)aniline |
| IUPAC Name | 3-fluoro-5-pyrrolidin-1-ylaniline |
| InChI | InChI=1S/C10H13FN2/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4,12H2 |
| InChI Key | SNPUUEFAXHZDGK-UHFFFAOYSA-N |
| MDL Number | MFCD12799890 |
| Molecular Formula | C10H13FN2 |
| Molecular Weight | 180.2220 |
| SMILES | NC1=CC(N2CCCC2)=CC(F)=C1 |
| Synonyms | 3-fluoro-5-(pyrrolidin-1-yl)aniline,
258864-26-5,
AC1Q51DT,
SCHEMBL2980568,
ZINC37666497,
AKOS010095554,
MCULE-1697878293,
NE47950,
EN300-62736,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.226g/mol |
| Monoisotopic Mass | 180.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number