| CAS Number | 1004282-76-1 |
| Catalog Number | AG008S32(AGN-PC-0WCAUY) |
| Chemical Name | 2-Methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine |
| IUPAC Name | 2-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine |
| InChI | InChI=1S/C11H14F3N/c1-10(2,7-15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,7,15H2,1-2H3 |
| InChI Key | SXZIKPXFJOWZCL-UHFFFAOYSA-N |
| MDL Number | MFCD10703519 |
| Molecular Formula | C11H14F3N |
| Molecular Weight | 217.2308 |
| SMILES | CC(CN)(C)C1=CC=C(C=C1)C(F)(F)F |
| Synonyms | 1004282-76-1,
2-Methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine,
2-Methyl-2-(4-(trifluoromethyl)phenyl)propan-1-amine,
2-methyl-2-(4-trifluoromethyl-phenyl)-propylamine,
2-Methyl-2-[4-(trifluoromethyl)-phenyl]propan-1-amine,
SCHEMBL793347,
C11H14F3N,
CTK7E2342,
KS-00003TKM,
SXZIKPXFJOWZCL-UHFFFAOYSA-N,
7161AC,
SBB052400,
ZINC20357677,
AKOS017554496,
MCULE-6959329191,
NE24021,
TS-03113,
DB-122242,
2-methyl-2-[4-(trifluoromethyl)phenyl]propylamine,
Z1801361722,
2-methyl-2-(4-trifluoromethylphenyl)propylamine,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.107834g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.23g/mol |
| Monoisotopic Mass | 217.107834g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number