| CAS Number | 1017779-30-4 |
| Catalog Number | AG00H9M3(AGN-PC-0WAOMZ) |
| Chemical Name | (5-Methyl-2-(trifluoromethyl)phenyl)methanamine |
| IUPAC Name | [5-methyl-2-(trifluoromethyl)phenyl]methanamine |
| InChI | InChI=1S/C9H10F3N/c1-6-2-3-8(9(10,11)12)7(4-6)5-13/h2-4H,5,13H2,1H3 |
| InChI Key | LDYZJNWJFZYWKD-UHFFFAOYSA-N |
| MDL Number | MFCD09832358 |
| Molecular Formula | C9H10F3N |
| Molecular Weight | 189.1776 |
| SMILES | C1C(C(F)(F)F)=C(C=C(C)C=1)CN |
| Synonyms | 5-METHYL-2-(TRIFLUOROMETHYL)BENZYLAMINE,
1017779-30-4,
MFCD09832358,
(5-Methyl-2-(trifluoromethyl)phenyl)methanamine,
[5-methyl-2-(trifluoromethyl)phenyl]methanamine,
CTK7E4019,
FCH873781,
SBB090918,
ZINC38530018,
AKOS006329163,
JS-4762,
PC302363,
5-Methyl-2-(trifluoromethyl)benzylamine, JRD,
[5-methyl-2-(trifluoromethyl)phenyl]methylamine,
1-[5-METHYL-2-(TRIFLUOROMETHYL)PHENYL]METHANAMINE,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.181g/mol |
| Monoisotopic Mass | 189.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number