| CAS Number | 869747-17-1 |
| Catalog Number | AG004KTK(AGN-PC-00VALM) |
| Chemical Name | 1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-amine |
| IUPAC Name | 1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride |
| InChI | InChI=1S/C12H15F3N2.2ClH/c13-12(14,15)10-3-1-9(2-4-10)7-17-6-5-11(16)8-17;;/h1-4,11H,5-8,16H2;2*1H |
| InChI Key | MGDNYEFLTIANFK-UHFFFAOYSA-N |
| MDL Number | MFCD08544465 |
| Molecular Formula | C12H15F3N2 |
| Molecular Weight | 244.2561 |
| SMILES | NC1CN(CC2=CC=C(C(F)(F)F)C=C2)CC1 |
| Synonyms | 869747-17-1,
1-(4-TRIFLUOROMETHYL-BENZYL)-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE,
CTK8E0903,
DTXSID60697995,
1-(4-(Trifluoromethyl)benzyl)pyrrolidin-3-amine dihydrochloride,
1-(4-trifluoromethylbenzyl)pyrrolidin-3-ylamine dihydrochloride,
1-{[4-(Trifluoromethyl)phenyl]methyl}pyrrolidin-3-amine--hydrogen chloride (1/2),
1- -PYRROLIDIN-3-YLAMINEDIHYDROCHLORIDE,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.177g/mol |
| Monoisotopic Mass | 316.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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