| CAS Number | 153390-61-5 |
| Catalog Number | AG00AS8W(AGN-PC-0Q6JZX) |
| Chemical Name | 1-(3-Trifluoromethylphenyl)-1-methylethylamine |
| IUPAC Name | 2-[3-(trifluoromethyl)phenyl]propan-2-amine |
| InChI | InChI=1S/C10H12F3N/c1-9(2,14)7-4-3-5-8(6-7)10(11,12)13/h3-6H,14H2,1-2H3 |
| InChI Key | YEGWNHBRMASMGR-UHFFFAOYSA-N |
| MDL Number | MFCD11899111 |
| Molecular Formula | C10H12F3N |
| Molecular Weight | 203.2042 |
| SMILES | CC(N)(C1=CC=CC(C(F)(F)F)=C1)C |
| Synonyms | 2-[3-(trifluoromethyl)phenyl]propan-2-amine,
153390-61-5,
2-[3-(Trifluoromethyl)phenyl]-2-propylamine,
2-(3-(trifluoromethyl)phenyl)propan-2-amine,
1-(3-TRIFLUOROMETHYLPHENYL)-1-METHYLETHYLAMINE,
AC1Q1NMB,
3-trifluoromethylcumylamine,
SCHEMBL3168194,
YEGWNHBRMASMGR-UHFFFAOYSA-N,
MFCD11899111,
ZINC33487307,
AKOS008143948,
AB65064,
MCULE-9622081141,
NE52870,
BS-13975,
SY047390,
EN300-66505,
MFCD11899111 (95%),
Z1263811605,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.208g/mol |
| Monoisotopic Mass | 203.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number