| CAS Number | 1269151-96-3 |
| Catalog Number | AG01AH22 |
| Chemical Name | 3-[3-(Trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride |
| IUPAC Name | 3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)6-8;/h1-4,8,10H,5-6,15H2;1H |
| InChI Key | ZRUYVYDSAJHUTR-UHFFFAOYSA-N |
| MDL Number | MFCD18380748 |
| Molecular Formula | C11H13ClF3N |
| Molecular Weight | 251.6758 |
| SMILES | Cl.NC1CC(C2=CC(C(F)(F)F)=CC=C2)C1 |
| Synonyms | 3-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride,
1269151-96-3,
AC1Q3D18,
MCULE-5265285876,
NE22932,
EN300-73460,
EN300-196920,
Z1266854923,
[3-(trifluoromethyl)phenyl]cyclobutan-1-amine hydrochloride, trans,
1807885-07-9,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.677g/mol |
| Monoisotopic Mass | 251.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number