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4-Ethoxyaniline

CAT: 0024-sc-226626Size: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-226626Size:100 g
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CAS Number
156-43-4

Chemical Information

4-Ethoxyaniline

4-ethoxyaniline is an aromatic ether that is aniline in which the hydrogen at position 4 is replaced by an ethoxy group. It is a hydrolysis metabolite of phenacetin. It has a role as a drug metabolite. It is an aromatic ether, a substituted aniline and a primary amino compound.

CAS Number156-43-4
PubChem CID9076
IUPAC Name4-ethoxyaniline
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP1.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
CCOC1=CC=C(C=C1)N
InChI
InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
InChIKey
IMPPGHMHELILKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethoxyaniline
CAS: 156-43-4
CID: 9076
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes