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4- (2-Hydroxyethyl) aminoquinoline

CAT: 0127-OR1076108Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1076108Size:25 g
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CAS Number
116289-25-9
Purity
=95%
Smiles
OCCNc1ccnc2ccccc12

Chemical Information

4-(2-Hydroxyethyl)aminoquinoline
CAS Number116289-25-9
PubChem CID10702777
IUPAC Name2-(quinolin-4-ylamino)ethanol
Molecular FormulaC11H12N2O
Molecular Weight188.23
XLogP0.2
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity175
SMILES
C1=CC=C2C(=C1)C(=CC=N2)NCCO
InChI
InChI=1S/C11H12N2O/c14-8-7-13-11-5-6-12-10-4-2-1-3-9(10)11/h1-6,14H,7-8H2,(H,12,13)
InChIKey
AAIWTWUMJZEMJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxyethyl)aminoquinoline
CAS: 116289-25-9
CID: 10702777
Formula: C11H12N2O
MW: 188.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.23
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass188.094963011
Monoisotopic Mass188.094963011
Topological Polar Surface Area45.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity175
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