| CAS Number | 1339242-88-4 |
| Catalog Number | AG01B167(AGN-PC-0WO1AL) |
| Chemical Name | 1-(3-Fluoropyridin-2-yl)-1,4-diazepane |
| IUPAC Name | 1-(3-fluoropyridin-2-yl)-1,4-diazepane |
| InChI | InChI=1S/C10H14FN3/c11-9-3-1-5-13-10(9)14-7-2-4-12-6-8-14/h1,3,5,12H,2,4,6-8H2 |
| InChI Key | DSIYBRLDYNHRPK-UHFFFAOYSA-N |
| MDL Number | MFCD16859313 |
| Molecular Formula | C10H14FN3 |
| Molecular Weight | 195.2367 |
| SMILES | FC1=C(N2CCNCCC2)N=CC=C1 |
| Synonyms | 1-(3-fluoropyridin-2-yl)-1,4-diazepane,
1339242-88-4,
ZINC54700331,
AKOS012026613,
NE47307,
Z1778350499,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.241g/mol |
| Monoisotopic Mass | 195.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number