CAS 3586-12-7 | 3-Phenoxyaniline | CAS Number 3586-12-7

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3586-12-7 | 3-Phenoxyaniline

CAS No: 3586-12-7 Catalog No: AG003JUZ MDL No:MFCD00041891

Product Description

Catalog Number:

AG003JUZ

Chemical Name:

3-Phenoxyaniline

CAS Number:

3586-12-7

Molecular Formula:

C12H11NO

Molecular Weight:

185.2218

MDL Number:

MFCD00041891

IUPAC Name:

3-phenoxyaniline

InChI:

InChI=1S/C12H11NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H,13H2

InChI Key:

UCSYVYFGMFODMY-UHFFFAOYSA-N

SMILES:

Nc1cccc(c1)Oc1ccccc1

EC Number:

222-715-9

UNII:

K14XXP3GJA

NSC Number:

57083

Properties

Complexity:

166

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.226g/mol

Monoisotopic Mass:

185.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues.	Bioorganic & medicinal chemistry 20110101
Discovery of a simple picomolar inhibitor of cholesteryl ester transfer protein.	Journal of medicinal chemistry 20030522
Chiral N,N-disubstituted trifluoro-3-amino-2-propanols are potent inhibitors of cholesteryl ester transfer protein.	Journal of medicinal chemistry 20020829
Brief pretreatment of radial artery conduits with phenoxybenzamine prevents vasoconstriction long term.	The Annals of thoracic surgery 20011201