| CAS Number | 1170606-46-8 |
| Catalog Number | AG019NHL(AGN-PC-0WORNZ) |
| Chemical Name | (pentan-3-yl)(2,2,2-trifluoroethyl)amine hydrochloride |
| IUPAC Name | N-(2,2,2-trifluoroethyl)pentan-3-amine;hydrochloride |
| InChI | InChI=1S/C7H14F3N.ClH/c1-3-6(4-2)11-5-7(8,9)10;/h6,11H,3-5H2,1-2H3;1H |
| InChI Key | ASMYOINVAOJYNM-UHFFFAOYSA-N |
| MDL Number | MFCD11505603 |
| Molecular Formula | C7H15ClF3N |
| Molecular Weight | 205.6489 |
| SMILES | Cl.CCC(NCC(F)(F)F)CC |
| Synonyms | (pentan-3-yl)(2,2,2-trifluoroethyl)amine hydrochloride,
1170606-46-8,
N-(1-ethylpropyl)-N-(2,2,2-trifluoroethyl)amine hydrochloride,
AC1Q39ML,
CTK6C9407,
AKOS016903877,
MCULE-9466141739,
NE15180,
EN300-40447,
Z425449734,
|
| Complexity | 96.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.649g/mol |
| Monoisotopic Mass | 205.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number