| CAS Number | 1204297-81-3 |
| Catalog Number | AG01AQCQ |
| Chemical Name | 3-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-1-amine |
| IUPAC Name | 3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-1-amine |
| InChI | InChI=1S/C11H12F3N3/c12-11(13,14)10-16-8-4-1-2-5-9(8)17(10)7-3-6-15/h1-2,4-5H,3,6-7,15H2 |
| InChI Key | CNGKDZSYDXMJGX-UHFFFAOYSA-N |
| MDL Number | MFCD16653262 |
| Molecular Formula | C11H12F3N3 |
| Molecular Weight | 243.2283 |
| SMILES | NCCCN1C2=C(C=CC=C2)N=C1C(F)(F)F |
| Synonyms | 1204297-81-3,
3-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propan-1-amine,
ZINC38478282,
AKOS015957461,
EN300-236719,
F2158-1091,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.233g/mol |
| Monoisotopic Mass | 243.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number