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2-(Trifluoromethoxy)ethanamine Hydrochloride

2-(Trifluoromethoxy)ethanamine Hydrochloride - CAS 886050-51-7

Catalog:	BB039026
Product Name:	2-(Trifluoromethoxy)ethanamine Hydrochloride
CAS:	886050-51-7
Synonyms:	2-(trifluoromethoxy)ethanamine;hydrochloride; 2-(trifluoromethoxy)ethanamine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(trifluoromethoxy)ethanamine;hydrochloride
Description:	2-(Trifluoromethoxy)ethanamine Hydrochloride was used in preparation of 2H-indazoles as EP2 receptor antagonists.
Molecular Weight:	165.54
Molecular Formula:	C3H7ClF3NO
Canonical SMILES:	C(COC(F)(F)F)N.Cl
InChI:	InChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
InChI Key:	PKYWPFQIIQKHCB-UHFFFAOYSA-N
Boiling Point:	105.5 °C at 760 mmHg
MDL:	MFCD08447280
LogP:	1.98380

Publication Number	Title	Priority Date
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809
WO-2021027647-A1	Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof	20190809
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CN-110964012-A	Fused heterocyclic biaryl benzyl alcohol compound, preparation method and application	20180929
CN-110964012-B	Fused heterocyclic biaryl benzyl alcohol compound, preparation method and application	20180929

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	62
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.0168260
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.0168260
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0