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2- (4-Methylphenoxy) ethanamine

CAT: 0127-OR951144-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR951144-01Size:250 mg
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CAS Number
26583-58-4
MDL Number
MFCD02598961
Purity
98%
Smiles
Cc1ccc(OCCN)cc1

Chemical Information

2-(4-Methylphenoxy)ethanamine
CAS Number26583-58-4
PubChem CID2106895
IUPAC Name2-(4-methylphenoxy)ethanamine
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1.3
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity97
SMILES
CC1=CC=C(C=C1)OCCN
InChI
InChI=1S/C9H13NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7,10H2,1H3
InChIKey
WRJHHZOBJGDIHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Methylphenoxy)ethanamine
CAS: 26583-58-4
CID: 2106895
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity97.7
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