4-(Trifluoromethoxy)benzylamine - CAS 93919-56-3
Catalog: |
BB041129 |
Product Name: |
4-(Trifluoromethoxy)benzylamine |
CAS: |
93919-56-3 |
Synonyms: |
[4-(trifluoromethoxy)phenyl]methanamine |
IUPAC Name: | [4-(trifluoromethoxy)phenyl]methanamine |
Description: | 4-(Trifluoromethoxy)benzylamine (CAS# 93919-56-3) is a useful compound in the study of structure-activity relationships in oxidation of para-substituted benzylamine analogs by recombinant human liver monoamine oxidase A. |
Molecular Weight: | 191.15 |
Molecular Formula: | C8H8F3NO |
Canonical SMILES: | C1=CC(=CC=C1CN)OC(F)(F)F |
InChI: | InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 |
InChI Key: | DBGROTRFYBSUTR-UHFFFAOYSA-N |
Boiling Point: | 57-60 °C (10 mmHg) |
Purity: | 98 % |
Density: | 1.252 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00061237 |
LogP: | 2.74420 |
GHS Hazard Statement: | H314 (13.64%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21755942 | 20110825 | Structure-activity relationships of antitubercular nitroimidazoles. 3. Exploration of the linker and lipophilic tail of ((s)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)-(4-trifluoromethoxybenzyl)amine (6-amino PA-824) | Journal of medicinal chemistry |
17034126 | 20061019 | New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking | Journal of medicinal chemistry |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.05579836 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.05579836 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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