| CAS Number | 1183840-96-1 |
| Catalog Number | AG01AA3I(AGN-PC-0WOCX1) |
| Chemical Name | 2-Fluoro-6-(pyrrolidin-1-yl)aniline |
| IUPAC Name | 2-fluoro-6-pyrrolidin-1-ylaniline |
| InChI | InChI=1S/C10H13FN2/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-13/h3-5H,1-2,6-7,12H2 |
| InChI Key | KVQQZPSWPXPGFE-UHFFFAOYSA-N |
| MDL Number | MFCD12149452 |
| Molecular Formula | C10H13FN2 |
| Molecular Weight | 180.2220 |
| SMILES | NC1=C(N2CCCC2)C=CC=C1F |
| Synonyms | 2-fluoro-6-(pyrrolidin-1-yl)aniline,
1183840-96-1,
AC1Q50VX,
ZINC37418985,
AKOS008138783,
KS-5525,
MCULE-1131497041,
NE15425,
Benzenamine,2-fluoro-6-(1-pyrrolidinyl)-,
Benzenamine, 2-fluoro-6-(1-pyrrolidinyl)-,
EN300-66925,
|
| 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