| CAS Number | 1152568-45-0 |
| Catalog Number | AG00HCYJ(AGN-PC-0WO12N) |
| Chemical Name | (1-[3-(Trifluoromethyl)phenyl]cyclopentyl)methanamine |
| IUPAC Name | [1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanamine |
| InChI | InChI=1S/C13H16F3N/c14-13(15,16)11-5-3-4-10(8-11)12(9-17)6-1-2-7-12/h3-5,8H,1-2,6-7,9,17H2 |
| InChI Key | VZMRAPSRBGTZOB-UHFFFAOYSA-N |
| MDL Number | MFCD10690922 |
| Molecular Formula | C13H16F3N |
| Molecular Weight | 243.2680 |
| SMILES | NCC1(C2=CC=CC(C(F)(F)F)=C2)CCCC1 |
| Synonyms | 1152568-45-0,
{1-[3-(trifluoromethyl)phenyl]cyclopentyl}methanamine,
(1-(3-(Trifluoromethyl)phenyl)cyclopentyl)methanamine,
1-[3-(Trifluoromethyl)phenyl]cyclopentanemethanamine,
AC1Q53PU,
CHEMBL3458834,
CTK7E3882,
ZINC34940521,
AKOS005202754,
MCULE-7313243333,
NE14810,
SY182314,
EN300-54881,
MFCD10690922 (95%),
(1-[3-(trifluoromethyl)phenyl]cyclopentyl)methanamine,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.273g/mol |
| Monoisotopic Mass | 243.123g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number