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2- (2-Ethoxyethoxy) quinolin-6-amine

CAT: 0926-DWB15267-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DWB15267-01Size:50 mg
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CAS Number
1153152-67-0
MDL Number
MFCD12412356
Smiles
CCOCCOC1=NC2=C (C=C1) C=C (C=C2) N
Molecular Formula
C13H16N2O2
Molecular Weight
232.28 g/mol
Controlled
No

Chemical Information

2-(2-Ethoxyethoxy)quinolin-6-amine
CAS Number1153152-67-0
PubChem CID43451073
IUPAC Name2-(2-ethoxyethoxy)quinolin-6-amine
Molecular FormulaC13H16N2O2
Molecular Weight232.28
XLogP2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity225
SMILES
CCOCCOC1=NC2=C(C=C1)C=C(C=C2)N
InChI
InChI=1S/C13H16N2O2/c1-2-16-7-8-17-13-6-3-10-9-11(14)4-5-12(10)15-13/h3-6,9H,2,7-8,14H2,1H3
InChIKey
BBAFBWRQKYFRID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Ethoxyethoxy)quinolin-6-amine
CAS: 1153152-67-0
CID: 43451073
Formula: C13H16N2O2
MW: 232.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.28
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass232.121177757
Monoisotopic Mass232.121177757
Topological Polar Surface Area57.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity225
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