| CAS Number | 887590-10-5 |
| Catalog Number | AG004BL6(AGN-PC-0VNUJC) |
| Chemical Name | N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline |
| IUPAC Name | N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C11H12F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-8-1-2-8/h3-6,8,15H,1-2,7H2 |
| InChI Key | ZSEZTWGUKNLOFO-UHFFFAOYSA-N |
| MDL Number | MFCD09026765 |
| Molecular Formula | C11H12F3N |
| Molecular Weight | 215.2149 |
| SMILES | FC(C1=CC=C(NCC2CC2)C=C1)(F)F |
| Synonyms | N-(cyclopropylmethyl)-4-(trifluoromethyl)aniline,
887590-10-5,
Cyclopropylmethyl-(4-trifluoromethyl-phenyl)-amine 1HCl salt,
ZINC8699718,
A1-07020,
Cyclopropylmethyl-(4-trifluoromethyl-phenyl)-amine hydrochloride,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.219g/mol |
| Monoisotopic Mass | 215.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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