| CAS Number | 708253-40-1 |
| Catalog Number | AG01A9J6 |
| Chemical Name | 1-[3-(Trifluoromethyl)phenyl]butan-1-amine |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]butan-1-amine |
| InChI | InChI=1S/C11H14F3N/c1-2-4-10(15)8-5-3-6-9(7-8)11(12,13)14/h3,5-7,10H,2,4,15H2,1H3 |
| InChI Key | ZVSDXABGZDMDIE-UHFFFAOYSA-N |
| MDL Number | MFCD11148427 |
| Molecular Formula | C11H14F3N |
| Molecular Weight | 217.2308 |
| SMILES | CCCC(C1=CC(C(F)(F)F)=CC=C1)N |
| Synonyms | 1-[3-(trifluoromethyl)phenyl]butan-1-amine,
708253-40-1,
AC1Q2ULX,
SCHEMBL12065005,
AKOS000244429,
AKOS016904379,
MCULE-5308815164,
NE20105,
EN300-65239,
Z1262395959,
(1R)-1-[3-(TRIFLUOROMETHYL)PHENYL]BUTYLAMINE,
(1S)-1-[3-(TRIFLUOROMETHYL)PHENYL]BUTYLAMINE,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.235g/mol |
| Monoisotopic Mass | 217.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number