| CAS Number | 959139-62-9 |
| Catalog Number | AG00IJIO(AGN-PC-0WA6X8) |
| Chemical Name | 2-Methyl-2-(3-trifluoromethylphenyl)propylamine HCl |
| IUPAC Name | 2-methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H14F3N.ClH/c1-10(2,7-15)8-4-3-5-9(6-8)11(12,13)14;/h3-6H,7,15H2,1-2H3;1H |
| InChI Key | UDZJWGCDZPFEMK-UHFFFAOYSA-N |
| MDL Number | MFCD20487757 |
| Molecular Formula | C11H15ClF3N |
| Molecular Weight | 253.6917 |
| SMILES | Cl.FC(C1C=CC=C(C=1)C(C)(C)CN)(F)F |
| Synonyms | 959139-62-9,
2-Methyl-2-(3-(trifluoromethyl)phenyl)propan-1-amine hydrochloride,
2-Methyl-2-(3-trifluoromethylphenyl)propylamine HCl,
C11H14F3N.HCl,
SCHEMBL3911403,
CTK8B6521,
DTXSID80726635,
ANW-53589,
MFCD20487757,
AKOS015999276,
AX8229646,
TC-142334,
ST24022313,
V9848,
2-Methyl-2-(3-trifluoromethylphenyl)propylamine hydrochloride,
2-Methyl-2-(3-(trifluoromethyl)phenyl)-propan-1-amine hydrochloride,
2-Methyl-2-[3-(trifluoromethyl)phenyl]propan-1-amine--hydrogen chloride (1/1),
2-Methyl-2-(3-(trifluoromethyl)phenyl)propan-1-aminehydrochloride,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.693g/mol |
| Monoisotopic Mass | 253.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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