4-(Trifluoromethoxy)benzylamine - CAS 93919-56-3

Name: 4-(Trifluoromethoxy)benzylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041129
Product Name:	4-(Trifluoromethoxy)benzylamine
CAS:	93919-56-3
Synonyms:	[4-(trifluoromethoxy)phenyl]methanamine

Technical Data

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

Publication Number	Title	Priority Date
CN-113185504-A	Furan-linked 1,3, 4-oxadiazole formamide compounds and preparation method and application thereof	20210512
CN-113214236-A	Preparation method of thiophene bi-1, 3, 4-oxadiazole formamide compounds, products and application thereof	20210512
CN-112778067-A	Method for synthesizing thioamide compound by using copper to catalyze 1,2, 3-thiodiazole compound and amine	20210129
CN-112625039-A	Pyrroloquinoline compound and synthesis method thereof	20210116
CN-111704575-A	Method for synthesizing quinoline-2-thiocarbamide compound under conditions of no catalyst and no additive	20200708

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