| CAS Number | 927996-69-8 |
| Catalog Number | AG019UR7 |
| Chemical Name | α-(4-Fluorophenyl)-1H-benzimidazole-1-ethanamine |
| IUPAC Name | 2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethanamine |
| InChI | InChI=1S/C15H14FN3/c16-12-7-5-11(6-8-12)13(17)9-19-10-18-14-3-1-2-4-15(14)19/h1-8,10,13H,9,17H2 |
| InChI Key | HTDKHVUZOKNNEP-UHFFFAOYSA-N |
| MDL Number | MFCD09262828 |
| Molecular Formula | C15H14FN3 |
| Molecular Weight | 255.2902 |
| SMILES | NC(C1=CC=C(F)C=C1)CN1C2=C(C=CC=C2)N=C1 |
| Synonyms | 2-(1H-1,3-benzodiazol-1-yl)-1-(4-fluorophenyl)ethan-1-amine,
927996-69-8,
AC1Q50CR,
CTK7B9959,
AKOS002673190,
AKOS016046514,
MCULE-4047868921,
NE36724,
EN300-42592,
Z1222283854,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.296g/mol |
| Monoisotopic Mass | 255.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number