| CAS Number | 736127-08-5 |
| Catalog Number | AG00ICF4(AGN-PC-0WQZUX) |
| Chemical Name | (S)-2,2-Dimethyl-1-trifluoromethyl-propylamine |
| IUPAC Name | (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-amine |
| InChI | InChI=1S/C6H12F3N/c1-5(2,3)4(10)6(7,8)9/h4H,10H2,1-3H3/t4-/m0/s1 |
| InChI Key | SWDHBAMNSWXENT-BYPYZUCNSA-N |
| MDL Number | MFCD08058822 |
| Molecular Formula | C6H12F3N |
| Molecular Weight | 155.1614 |
| SMILES | CC([C@@H](C(F)(F)F)N)(C)C |
| Synonyms | 736127-08-5,
(S)-2,2-Dimethyl-1-trifluoromethyl-propylamine,
(S)-2,2-DIMETHYL-1-TRIFLUOROMETHYLPROPYLAMINE,
(2S)-1,1,1-Trifluoro-3,3-dimethylbutan-2-amine,
SCHEMBL12364122,
DTXSID20705323,
MFCD08058822,
ZINC44138949,
AKOS025402950,
AS-40163,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.164g/mol |
| Monoisotopic Mass | 155.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number