1,1,1-Trifluoro-2-methyl-2-propanamine Hydrochloride - CAS 174886-04-5
Catalog: |
BB013053 |
Product Name: |
1,1,1-Trifluoro-2-methyl-2-propanamine Hydrochloride |
CAS: |
174886-04-5 |
Synonyms: |
1,1,1-trifluoro-2-methyl-2-propanamine;hydrochloride; 1,1,1-trifluoro-2-methylpropan-2-amine;hydrochloride |
IUPAC Name: | 1,1,1-trifluoro-2-methylpropan-2-amine;hydrochloride |
Description: | 1,1,1-Trifluoro-2-methyl-2-propanamine Hydrochloride (CAS# 174886-04-5) is used in the preparation of peptides as NS3-serine protease inhibitors of hepatitis C virus. |
Molecular Weight: | 163.57 |
Molecular Formula: | C4H9ClF3N |
Canonical SMILES: | CC(C)(C(F)(F)F)N.Cl |
InChI: | InChI=1S/C4H8F3N.ClH/c1-3(2,8)4(5,6)7;/h8H2,1-2H3;1H |
InChI Key: | CHLSBKZIORHVOJ-UHFFFAOYSA-N |
LogP: | 2.78830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021014172-A1 | Pyridine derivatives as calcium-activated chloride channel modulators | 20190724 |
EP-3741762-A1 | Oxalamido-substituted tricyclic inhibitors of hepatitis b virus | 20190523 |
WO-2020234483-A1 | Oxalamido-substituted tricyclic inhibitors of hepatitis b virus | 20190523 |
WO-2019134680-A1 | Inhibitor of apoptosis signal-regulating kinase-1 and application thereof | 20180105 |
CN-111655678-A | Apoptosis signal-regulating kinase-1 inhibitor and application thereof | 20180105 |
Complexity: | 83.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0375615 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0375615 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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