| CAS Number | 694499-30-4 |
| Catalog Number | AG005Z5F(AGN-PC-0D5R5A) |
| Chemical Name | Benzenamine, 4-(4-morpholinylmethyl)-3-(trifluoromethyl)- |
| IUPAC Name | 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(16)2-1-9(11)8-17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2 |
| InChI Key | XJQAPCVYZHUIGD-UHFFFAOYSA-N |
| MDL Number | MFCD25070914 |
| Molecular Formula | C12H15F3N2O |
| Molecular Weight | 260.2555 |
| SMILES | NC1=CC=C(CN2CCOCC2)C(C(F)(F)F)=C1 |
| Synonyms | 694499-30-4,
4-(Morpholinomethyl)-3-(trifluoromethyl)aniline,
Benzenamine, 4-(4-morpholinylmethyl)-3-(trifluoromethyl)-,
4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline,
SCHEMBL2435935,
CTK1J1083,
DTXSID70733252,
XJQAPCVYZHUIGD-UHFFFAOYSA-N,
MFCD25070914,
ZINC90598349,
AKOS019686997,
CS-W000764,
AS-48554,
4-[(Morpholin-4-yl)methyl]-3-(trifluoromethyl)aniline,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.26g/mol |
| Monoisotopic Mass | 260.114g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number