| CAS Number | 1094218-35-5 |
| Catalog Number | AG00HBGZ(AGN-PC-0WOAZD) |
| Chemical Name | 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine |
| InChI | InChI=1S/C11H12F3N/c12-11(13,14)9-4-1-3-8(7-9)10(15)5-2-6-10/h1,3-4,7H,2,5-6,15H2 |
| InChI Key | YRMXYMIMWFKYSY-UHFFFAOYSA-N |
| MDL Number | MFCD09864772 |
| Molecular Formula | C11H12F3N |
| Molecular Weight | 215.2149 |
| SMILES | NC1(C2=CC(C(F)(F)F)=CC=C2)CCC1 |
| Synonyms | 1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine,
1094218-35-5,
1-[3-(Trifluoromethyl)phenyl]cyclobutanamine,
SCHEMBL18769566,
ZINC36906444,
AKOS009321443,
MCULE-1116406871,
NE25442,
SY194342,
EN300-91454,
MFCD09910048 (95%),
Z1263544986,
1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine,hydrochloride,
|
| Complexity | 233 |
| 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 | 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