3-Fluorophenethylamine - CAS 404-70-6

Catalog:	BB024513
Product Name:	3-Fluorophenethylamine
CAS:	404-70-6
Synonyms:	2-(3-fluorophenyl)ethanamine

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-(3-fluorophenyl)ethanamine
Description:	3-Fluorophenethylamine (CAS# 404-70-6) is a useful research chemical.
Molecular Weight:	139.17
Molecular Formula:	C8H10FN
Canonical SMILES:	C1=CC(=CC(=C1)F)CCN
InChI:	InChI=1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChI Key:	AUCVZEYHEFAWHO-UHFFFAOYSA-N
Boiling Point:	87 °C (15 mmHg)
Purity:	98 %
Density:	1.066 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00075376
LogP:	2.02720

Publication Number	Title	Priority Date
CN-113461631-A	1,3, 4-oxadiazole neuraminidase inhibitor and preparation method and application thereof	20210629
CN-112079732-A	Synthetic route of 4-alkyl secondary amino-2-butanol compound	20200922
CN-112079732-B	Synthetic route of 4-alkyl secondary amino-2-butanol compound	20200922
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
CN-113437227-A	Light-emitting film, preparation method and electroluminescent device	20200323

PMID	Publication Date	Title	Journal
18602830	20080801	Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1	Bioorganic & medicinal chemistry

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Related Functional Groups

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Nitrogen Compounds

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[1170836-29-9]
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[5724-76-5]
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Other Pyrimidines

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[207605-39-8]
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1,2,3-Trifluorobenzene

GHS Hazard Statement:	H290 (11.54%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.079727485
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.079727485
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7