| CAS Number | 926209-26-9 |
| Catalog Number | AG01A7KM |
| Chemical Name | [2-(Dimethylamino)ethyl]({[3-(trifluoromethyl)phenyl]methyl})amine |
| IUPAC Name | N',N'-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine |
| InChI | InChI=1S/C12H17F3N2/c1-17(2)7-6-16-9-10-4-3-5-11(8-10)12(13,14)15/h3-5,8,16H,6-7,9H2,1-2H3 |
| InChI Key | FYGSTEFVMGKXIF-UHFFFAOYSA-N |
| MDL Number | MFCD09045690 |
| Molecular Formula | C12H17F3N2 |
| Molecular Weight | 246.2720 |
| SMILES | CN(CCNCC1=CC(C(F)(F)F)=CC=C1)C |
| Synonyms | [2-(dimethylamino)ethyl]({[3-(trifluoromethyl)phenyl]methyl})amine,
926209-26-9,
N,N-DIMETHYL-N'-[3-(TRIFLUOROMETHYL)BENZYL]ETHANE-1,2-DIAMINE,
AC1Q3WV0,
SCHEMBL2859649,
CTK6I1059,
ZINC21962795,
AKOS000129727,
MCULE-2884348100,
NE18482,
EN300-59015,
Z86135352,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.277g/mol |
| Monoisotopic Mass | 246.134g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number