| CAS Number | 1251922-76-5 |
| Catalog Number | AG01AACL(AGN-PC-0WO2OL) |
| Chemical Name | 2-[1-(difluoromethyl)-1H-imidazol-2-yl]-1-phenylethan-1-amine |
| IUPAC Name | 2-[1-(difluoromethyl)imidazol-2-yl]-1-phenylethanamine |
| InChI | InChI=1S/C12H13F2N3/c13-12(14)17-7-6-16-11(17)8-10(15)9-4-2-1-3-5-9/h1-7,10,12H,8,15H2 |
| InChI Key | KXVWBHWBHHBOFJ-UHFFFAOYSA-N |
| MDL Number | MFCD16990685 |
| Molecular Formula | C12H13F2N3 |
| Molecular Weight | 237.2485 |
| SMILES | NC(C1=CC=CC=C1)CC1N(C(F)F)C=CN=1 |
| Synonyms | 2-[1-(difluoromethyl)-1H-imidazol-2-yl]-1-phenylethan-1-amine,
1251922-76-5,
AC1Q50AB,
AKOS026726955,
MCULE-4184015287,
NE55767,
EN300-68213,
Z1263529703,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.254g/mol |
| Monoisotopic Mass | 237.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number