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2-Aminophenethyl alcohol

CAT: 0127-OR16408-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR16408-01Size:5 g
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CAS Number
5339-85-5
Synonyms
2- (2-Aminophenyl) ethan-1-ol, 2- (2-Hydroxyethyl) aniline
MDL Number
MFCD00007754
Purity
97%
Smiles
Nc1ccccc1CCO

Chemical Information

o-Aminophenethyl alcohol
CAS Number5339-85-5
PubChem CID79282
IUPAC Name2-(2-aminophenyl)ethanol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.5
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity95
SMILES
C1=CC=C(C(=C1)CCO)N
InChI
InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
InChIKey
ILDXSRFKXABMHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Aminophenethyl alcohol
CAS: 5339-85-5
CID: 79282
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area46.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.3
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

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