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2-Amino-1-phenylethanol

CAT: 0607-C6584-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-C6584-1000Size:1 g
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CAS Number
7568-93-6
Product Name Alternative
2-amino-1-phenylethan-1-ol
Field of Research
Metabolic Enzyme Protease Endogenous Metabolite
Purity
0.9957
Solubility
≥23.2 mg/mL in DMSO; ≥11.25 mg/mL in EtOH; ≥19.6 mg/mL in H2O
Smiles
OC(CN)C1=CC=CC=C1
Molecular Formula
C8H11NO
Molecular Weight
137.18
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Phenylethanolamine

Phenylethanolamine is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.

CAS Number7568-93-6
PubChem CID1000
IUPAC Name2-amino-1-phenylethanol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.1
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity89
SMILES
C1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKey
ULSIYEODSMZIPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylethanolamine
CAS: 7568-93-6
CID: 1000
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.1
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
Complexity89.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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