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2- (4-Aminophenoxy) -N-methylacetamide

CAT: 0926-CCA54748-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-CCA54748-01Size:250 mg
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CAS Number
52547-48-5
MDL Number
MFCD09037326
Smiles
CNC (=O) COC1=CC=C (C=C1) N
Molecular Formula
C9H12N2O2
Molecular Weight
180.2 g/mol
Controlled
No

Chemical Information

2-(4-aminophenoxy)-N-methylacetamide
CAS Number52547-48-5
PubChem CID13839896
IUPAC Name2-(4-aminophenoxy)-N-methylacetamide
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP0.3
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity165
SMILES
CNC(=O)COC1=CC=C(C=C1)N
InChI
InChI=1S/C9H12N2O2/c1-11-9(12)6-13-8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
JMFKWLQIGHTQHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-aminophenoxy)-N-methylacetamide
CAS: 52547-48-5
CID: 13839896
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area64.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity165
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