4-Amino-2-methyl-7-(trifluoromethyl)quinoline - CAS 917562-00-6
Catalog: |
BB040335 |
Product Name: |
4-Amino-2-methyl-7-(trifluoromethyl)quinoline |
CAS: |
917562-00-6 |
Synonyms: |
2-methyl-7-(trifluoromethyl)quinolin-4-amine |
IUPAC Name: | 2-methyl-7-(trifluoromethyl)quinolin-4-amine |
Description: | 4-Amino-2-methyl-7-(trifluoromethyl)quinoline (CAS# 917562-00-6) is a useful research chemical. |
Molecular Weight: | 226.20 |
Molecular Formula: | C11H9F3N2 |
Canonical SMILES: | CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)N |
InChI: | InChI=1S/C11H9F3N2/c1-6-4-9(15)8-3-2-7(11(12,13)14)5-10(8)16-6/h2-5H,1H3,(H2,15,16) |
InChI Key: | XOCNDKPCAIPSRG-UHFFFAOYSA-N |
Boiling Point: | 330.2 °C at 760 mmHg |
Density: | 1.339 g/cm3 |
LogP: | 3.72540 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
HU-0401607-A2 | Synthesis of aminoquinoline derivatives and of their starting materials | 20040810 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.07178278 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.07178278 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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