| CAS Number | 1439900-32-9 |
| Catalog Number | AG001IPO(AGN-PC-0WANHJ) |
| Chemical Name | Benzenemethanamine, α,α-dimethyl-3-(trifluoromethyl)-, hydrochloride (1:1) |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H12F3N.ClH/c1-9(2,14)7-4-3-5-8(6-7)10(11,12)13;/h3-6H,14H2,1-2H3;1H |
| InChI Key | JFMYHDYEUFIHDL-UHFFFAOYSA-N |
| MDL Number | MFCD14708148 |
| Molecular Formula | C10H13ClF3N |
| Molecular Weight | 239.6651 |
| SMILES | CC(N)(C1=CC=CC(C(F)(F)F)=C1)C.[H]Cl |
| Synonyms | 1439900-32-9,
2-(3-(Trifluoromethyl)phenyl)propan-2-amine hydrochloride,
2-[3-(Trifluoromethyl)phenyl]propan-2-amine hydrochloride,
1-methyl-1-[3-(trifluoromethyl)phenyl]ethylamine hydrochloride,
KS-00000STC,
AKOS025146479,
DS-8834,
AK164899,
ST24039281,
2-[3-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride,
Benzenemethanamine, alpha,alpha-dimethyl-3-(trifluoromethyl)-, hydrochloride (1:1),
153390-61-5,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.068862g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.66g/mol |
| Monoisotopic Mass | 239.068862g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H332-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
Signal Words
|
warning
|
|
UN Code
|
|
Certificate of Analysis
Lot Number