N-Ethyl-4-(trifluoromethyl)benzylamine - CAS 90390-12-8
Catalog: |
BB039838 |
Product Name: |
N-Ethyl-4-(trifluoromethyl)benzylamine |
CAS: |
90390-12-8 |
Synonyms: |
N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine; N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine |
IUPAC Name: | N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine |
Description: | N-Ethyl-4-(trifluoromethyl)benzylamine (CAS# 90390-12-8) is used in preparation of 1,2-Dithiolone compounds and use thereof for controlling Phytopathogenic. microorganisms. |
Molecular Weight: | 203.20 |
Molecular Formula: | C10H12F3N |
Canonical SMILES: | CCNCC1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C10H12F3N/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3 |
InChI Key: | HVEKJUAYPMGFDD-UHFFFAOYSA-N |
Boiling Point: | 208.3 °C at 760 mmHg |
Density: | 1.122 g/cm3 |
LogP: | 3.20580 |
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 |
US-2021188807-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2021124279-A1 | Compounds active towards nuclear receptors | 20191220 |
WO-2020243423-A1 | Tead inhibitors and uses thereof | 20190531 |
WO-2017124087-A1 | Anti-parasitic compounds and uses thereof | 20160115 |
US-2017204086-A1 | Alpha-helix analog having triazine-piperazine backbone and method for preparing same | 20140714 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.09218387 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.09218387 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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