| CAS Number | 1181457-92-0 |
| Catalog Number | AG019VD0 |
| Chemical Name | N-{1-[3-(trifluoromethyl)phenyl]ethyl}cyclopropanamine hydrochloride |
| IUPAC Name | N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanamine;hydrochloride |
| InChI | InChI=1S/C12H14F3N.ClH/c1-8(16-11-5-6-11)9-3-2-4-10(7-9)12(13,14)15;/h2-4,7-8,11,16H,5-6H2,1H3;1H |
| InChI Key | IQTGQMCIDGZFPA-UHFFFAOYSA-N |
| MDL Number | MFCD12197125 |
| Molecular Formula | C12H15ClF3N |
| Molecular Weight | 265.7024 |
| SMILES | Cl.CC(C1=CC(C(F)(F)F)=CC=C1)NC1CC1 |
| Synonyms | N-{1-[3-(trifluoromethyl)phenyl]ethyl}cyclopropanamine hydrochloride,
1181457-92-0,
N-(1-(3-(Trifluoromethyl)phenyl)ethyl)cyclopropanamine hydrochloride,
AC1Q399M,
CTK6A5449,
AKOS016900821,
MCULE-3515704122,
NE18413,
EN300-44923,
Z490947786,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.704g/mol |
| Monoisotopic Mass | 265.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number