Name: Name:4-(2-aminoethyl)-3,5-difluorophenol
Brand: Angene
SKU: AG01BK8L
Rating: 90 (10 reviews)

4-(2-aminoethyl)-3,5-difluorophenol

CAS No.:

751440-47-8

Catalog Number:

AG01BK8L

Molecular Formula:

C8H9F2NO

Molecular Weight:

173.1600

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Product Description

Catalog Number:

AG01BK8L

Chemical Name:

4-(2-aminoethyl)-3,5-difluorophenol

CAS Number:

751440-47-8

Molecular Formula:

C8H9F2NO

Molecular Weight:

173.1600

MDL Number:

MFCD18204754

IUPAC Name:

4-(2-aminoethyl)-3,5-difluorophenol

InChI:

InChI=1S/C8H9F2NO/c9-7-3-5(12)4-8(10)6(7)1-2-11/h3-4,12H,1-2,11H2

InChI Key:

RWSBYJCYOKCTOS-UHFFFAOYSA-N

SMILES:

NCCc1c(F)cc(cc1F)O

Properties

Complexity:

133

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.163g/mol

Monoisotopic Mass:

173.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

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