2-[4-(Trifluoromethoxy)phenyl]ethanamine - CAS 170015-99-3

Catalog:	BB012597
Product Name:	2-[4-(Trifluoromethoxy)phenyl]ethanamine
CAS:	170015-99-3
Synonyms:	2-[4-(trifluoromethoxy)phenyl]ethanamine; 2-[4-(trifluoromethoxy)phenyl]ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-[4-(trifluoromethoxy)phenyl]ethanamine
Description:	2-[4-(Trifluoromethoxy)phenyl]ethanamine (CAS# 170015-99-3) is a useful research chemical.
Molecular Weight:	205.18
Molecular Formula:	C9H10F3NO
Canonical SMILES:	C1=CC(=CC=C1CCN)OC(F)(F)F
InChI:	InChI=1S/C9H10F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
InChI Key:	HHLGARPFXWIYTE-UHFFFAOYSA-N
Boiling Point:	211.017 °C at 760 mmHg
Density:	1.234 g/cm³
LogP:	2.78670

Publication Number	Title	Priority Date
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322
CN-111989100-A	YAP1 inhibitors targeting YAP1 interaction with OCT4	20180314
BR-112020018642-A2	COMPOUND OF FORMULA I, PHARMACEUTICAL COMPOSITION, METHOD OF TREATING CANCER IN A SUBJECT IN NEED, METHOD OF ELIMINATING A TUMOR CELL IN A SUBJECT	20180314
WO-2018165520-A1	Metalloenzyme inhibitor compounds	20170310
AU-2016287478-A1	Antibacterial compounds	20150702

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.07144843
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.07144843
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4