| CAS Number | 885460-34-4 |
| Catalog Number | AG00IF5W(AGN-PC-0WR4II) |
| Chemical Name | N-(1-Cyclopropylethyl)-3-(trifluoromethyl)aniline |
| IUPAC Name | N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C12H14F3N/c1-8(9-5-6-9)16-11-4-2-3-10(7-11)12(13,14)15/h2-4,7-9,16H,5-6H2,1H3 |
| InChI Key | KBXWRPZHSHUJTO-UHFFFAOYSA-N |
| MDL Number | MFCD06660706 |
| Molecular Formula | C12H14F3N |
| Molecular Weight | 229.2415 |
| SMILES | CC(C1CC1)NC1=CC(C(F)(F)F)=CC=C1 |
| Synonyms | N-(1-cyclopropylethyl)-3-(trifluoromethyl)aniline,
885460-34-4,
N-(1-cyclopropylethyl)-N-[3-(trifluoromethyl)phenyl]amine,
AC1MMISO,
AC1Q2BMD,
CTK6A4691,
MFCD06660706,
AKOS000122386,
AKOS016874465,
MCULE-3123569093,
NE44068,
EN300-09257,
Z56346911,
ZINC03887708,
CID3286643,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.246g/mol |
| Monoisotopic Mass | 229.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number