| CAS Number | 923204-69-7 |
| Catalog Number | AG019K5O(AGN-PC-0WO425) |
| Chemical Name | 1-[1-(Difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine |
| IUPAC Name | 1-[1-(difluoromethyl)benzimidazol-2-yl]ethanamine |
| InChI | InChI=1S/C10H11F2N3/c1-6(13)9-14-7-4-2-3-5-8(7)15(9)10(11)12/h2-6,10H,13H2,1H3 |
| InChI Key | IIYRQEHOCIXDBN-UHFFFAOYSA-N |
| MDL Number | MFCD08444436 |
| Molecular Formula | C10H11F2N3 |
| Molecular Weight | 211.2112 |
| SMILES | CC(C1N(C(F)F)C2=C(C=CC=C2)N=1)N |
| Synonyms | 1-[1-(difluoromethyl)-1H-benzimidazol-2-yl]ethanamine,
1-[1-(difluoromethyl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine,
923204-69-7,
AC1Q2B9Z,
CTK6A6048,
AKOS000118050,
AKOS016051247,
MCULE-7551948507,
EN300-25615,
Z217102784,
1-(1-(difluoromethyl)-1H-benzo[d]imidazol-2-yl)ethanamine,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.216g/mol |
| Monoisotopic Mass | 211.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number