| CAS Number | 1016878-96-8 |
| Catalog Number | AG01AB5D(AGN-PC-0WOCWE) |
| Chemical Name | (3-Methylbutan-2-yl)(2,2,2-trifluoroethyl)amine |
| IUPAC Name | 3-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine |
| InChI | InChI=1S/C7H14F3N/c1-5(2)6(3)11-4-7(8,9)10/h5-6,11H,4H2,1-3H3 |
| InChI Key | NKHZHDBLXGUHAA-UHFFFAOYSA-N |
| MDL Number | MFCD09947594 |
| Molecular Formula | C7H14F3N |
| Molecular Weight | 169.1880 |
| SMILES | CC(C(NCC(F)(F)F)C)C |
| Synonyms | (3-methylbutan-2-yl)(2,2,2-trifluoroethyl)amine,
1016878-96-8,
AC1Q1O26,
AKOS000192936,
MCULE-6762936948,
NE23955,
EN300-70513,
Z1263811778,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.191g/mol |
| Monoisotopic Mass | 169.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number