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2-(3-Aminophenyl)ethanol

CAT: 0572-TRC-A615645-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A615645-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52273-77-5
Synonyms
3-Aminobenzeneethanol; 2-(3-Aminophenyl)ethanol; 2-(m-Aminophenyl)ethanol; 3-(2-Hydroxyethyl)aniline; 3-Aminophenethyl Alcohol;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Nc1cccc(CCO)c1
Molecular Formula
C8H11NO
Molecular Weight
137.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-(3-Aminophenyl)ethan-1-ol
CAS Number52273-77-5
PubChem CID14938987
IUPAC Name2-(3-aminophenyl)ethanol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.6
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(=CC(=C1)N)CCO
InChI
InChI=1S/C8H11NO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5,9H2
InChIKey
FNUKLSVGSFFSLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Aminophenyl)ethan-1-ol
CAS: 52273-77-5
CID: 14938987
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.6
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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