2-(2,4-Difluorophenyl)ethanamine - CAS 134672-72-3

Catalog:	BB007989
Product Name:	2-(2,4-Difluorophenyl)ethanamine
CAS:	134672-72-3
Synonyms:	2-(2,4-difluorophenyl)ethanamine; 2-(2,4-difluorophenyl)ethanamine

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Computed Properties

IUPAC Name:	2-(2,4-difluorophenyl)ethanamine
Description:	2-(2,4-Difluorophenyl)ethanamine (CAS# 134672-72-3) is a useful research chemical.
Molecular Weight:	157.16
Molecular Formula:	C8H9F2N
Canonical SMILES:	C1=CC(=C(C=C1F)F)CCN
InChI:	InChI=1S/C8H9F2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChI Key:	OGCUAECIKFVXQG-UHFFFAOYSA-N
MDL:	MFCD01529878
LogP:	2.16630

Publication Number	Title	Priority Date
WO-2018165520-A1	Metalloenzyme inhibitor compounds	20170310
CN-106831532-B	It is complete to replace 3- nitroindoline compound and its midbody compound, preparation method and application	20170124
EP-3483149-A1	Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same	20160708
JP-2019520403-A	Benzo [D] thiazole derivative or salt thereof, and pharmaceutical composition containing the same	20160708
KR-20180006167-A	Benzo[d]thiazole derivative or its salt and pharmaceutical composition comprising the same	20160708

PMID	Publication Date	Title	Journal
20566409	20100901	A-887826 is a structurally novel, potent and voltage-dependent Na(v)1.8 sodium channel blocker that attenuates neuropathic tactile allodynia in rats	Neuropharmacology

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GHS Hazard Statement:	H302 (99.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.07030562
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.07030562
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4