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Home Other Building Blocks 4-(Trifluoromethoxy)benzylamine

4-(Trifluoromethoxy)benzylamine

CAS No.:
93919-56-3
Catalog Number:
AG0033U2
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$50
- +
100g
97%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG0033U2
Chemical Name:
4-(Trifluoromethoxy)benzylamine
CAS Number:
93919-56-3
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
MDL Number:
MFCD00061237
IUPAC Name:
[4-(trifluoromethoxy)phenyl]methanamine
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
SMILES:
NCc1ccc(cc1)OC(F)(F)F
EC Number:
300-040-1
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.153g/mol
Monoisotopic Mass:
191.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
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 20110825
New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking. Journal of medicinal chemistry 20061019
Properties