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4- (2-Ethoxyethoxy) aniline

CAT: 0024-sc-313985Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-313985Size:500 mg
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CAS Number
65999-71-5

Chemical Information

4-(2-Ethoxyethoxy)aniline
CAS Number65999-71-5
PubChem CID16641299
IUPAC Name4-(2-ethoxyethoxy)aniline
Molecular FormulaC10H15NO2
Molecular Weight181.23
XLogP1.4
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity122
SMILES
CCOCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15NO2/c1-2-12-7-8-13-10-5-3-9(11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKey
SCFTZBNMULUNNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Ethoxyethoxy)aniline
CAS: 65999-71-5
CID: 16641299
Formula: C10H15NO2
MW: 181.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass181.110278721
Monoisotopic Mass181.110278721
Topological Polar Surface Area44.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity122
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