4,4,4-Trifluoro-3,3-dimethylbutan-1-amine Hydrochloride - CAS 1454690-74-4
Catalog: |
BB056994 |
Product Name: |
4,4,4-Trifluoro-3,3-dimethylbutan-1-amine Hydrochloride |
CAS: |
1454690-74-4 |
Synonyms: |
4,4,4-trifluoro-3,3-dimethylbutan-1-amine hydrochloride; 4,4,4-trifluoro-3,3-dimethylbutan-1-amine; hydrochloride |
IUPAC Name: | 4,4,4-trifluoro-3,3-dimethylbutan-1-aminehydrochloride |
Description: | 4,4,4-Trifluoro-3,3-dimethylbutan-1-amine Hydrochloride may be useful in the preparation of amino(phenyl)pyridopyrimidine derivatives and naphthyridinylphenyl ureas as Raf kinase inhibitors. |
Molecular Weight: | 155.16 + 36.46 |
Molecular Formula: | C6H12F3N·HCl |
Canonical SMILES: | CC(C)(CCN)C(F)(F)F.Cl |
InChI: | InChI=1S/C6H12F3N.ClH/c1-5(2,3-4-10)6(7,8)9/h3-4,10H2,1-2H31H |
InChI Key: | IEFQYULTSROVQJ-UHFFFAOYSA-N |
References: | Flynn, D. L., et al. U.S. Pat. Appl. Publ. (2015); Flynn, D. L., et al. PCT Int. Appl., 101pp. (2013); Flynn, D. L., et al. PCT Int. Appl., 161pp. (2013). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2015105367-A1 | Raf inhibitor compounds | 20120307 |
US-2015119392-A1 | Raf inhibitor compounds | 20120307 |
US-9187474-B2 | Raf inhibitor compounds | 20120307 |
US-9334267-B2 | RAF inhibitor compounds | 20120307 |
WO-2013134252-A1 | 2-amino, 6 - phenyl substituted pyrido [2, 3 - d] pyrimidine derivatives useful as raf kinase inhibitors | 20120307 |
WO-2013134298-A1 | Raf inhibitor compounds | 20120307 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.0688616 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.0688616 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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