4-(Aminomethyl)-3-(trifluoromethyl)aniline - CAS 122509-22-2
Catalog: |
BB005412 |
Product Name: |
4-(Aminomethyl)-3-(trifluoromethyl)aniline |
CAS: |
122509-22-2 |
Synonyms: |
4-(aminomethyl)-3-(trifluoromethyl)aniline; 4-(aminomethyl)-3-(trifluoromethyl)aniline |
IUPAC Name: | 4-(aminomethyl)-3-(trifluoromethyl)aniline |
Description: | 4-(Aminomethyl)-3-(trifluoromethyl)aniline (CAS# 122509-22-2) is a useful research chemical. |
Molecular Weight: | 190.17 |
Molecular Formula: | C8H9F3N2 |
Canonical SMILES: | C1=CC(=C(C=C1N)C(F)(F)F)CN |
InChI: | InChI=1S/C8H9F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,4,12-13H2 |
InChI Key: | KVGJSASELAQLPO-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 3.02780 |
Publication Number | Title | Priority Date |
WO-2021005586-A1 | Tricyclic akr1c3 dependent kars inhibitors | 20190801 |
TW-202120507-A | Tricyclic akr1c3 dependent kars inhibitors | 20190801 |
AU-2018274652-A1 | Dual modulators of farnesoid X receptor and soluble epoxide hydrolase | 20170524 |
CN-110891560-A | Dual modulators of farnesoid X receptor and soluble epoxide hydrolase | 20170524 |
KR-20200010387-A | Dual Modulators of Farnesoid X Receptor and Soluble Epoxide Hydrolase | 20170524 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.07178278 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.07178278 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Amines and Anilines
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