| CAS Number | 1052404-68-8 |
| Catalog Number | AG0197KP(AGN-PC-0WBQ2A) |
| Chemical Name | 5-Amino-4-(trifluoromethyl)pentanoic acid hydrochloride |
| IUPAC Name | 4-(aminomethyl)-5,5,5-trifluoropentanoic acid;hydrochloride |
| InChI | InChI=1S/C6H10F3NO2.ClH/c7-6(8,9)4(3-10)1-2-5(11)12;/h4H,1-3,10H2,(H,11,12);1H |
| InChI Key | IUYUKQUTNGOQHL-UHFFFAOYSA-N |
| MDL Number | MFCD00723867 |
| Molecular Formula | C6H11ClF3NO2 |
| Molecular Weight | 221.6052 |
| SMILES | Cl.NCC(C(F)(F)F)CCC(O)=O |
| Synonyms | 4-(aminomethyl)-5,5,5-trifluoropentanoic acid hydrochloride,
5-amino-4-(trifluoromethyl)pentanoic acid hydrochloride,
1052404-68-8,
AC1MCHRC,
AC1Q3D4Y,
CTK7E2040,
AKOS022268612,
MCULE-1889924232,
EN300-07164,
L-3949,
Z56763183,
F0306-0003,
CID2769948,
4-(aminomethyl)-5,5,5-trifluoro-pentanoic Acid Hydrochloride,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.604g/mol |
| Monoisotopic Mass | 221.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number