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1-Phenylethanamine

CAT: 0013-GTR19240891-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240891-01Size:50 mg
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Description
1-Phenylethanamine is a β-phenylethylamine derivative with a central nervous system stimulant profile. Its reduced glycogenolysis activity, attributed to structural modification, makes it a valuable tool for studying structure-activity relationships in neurochemistry and for the synthesis of tyrosine kinase inhibitors like CLM3.
CAS Number
618-36-0
Field of Research
Metabolism Research, Neuroscience
Smiles
NC (C=1C=CC=CC1) C
Molecular Formula
C8H11N
Molecular Weight
121.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Phenethylamine

1-phenylethylamine is a phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has a role as a human metabolite.

CAS Number618-36-0
PubChem CID7408
IUPAC Name1-phenylethanamine
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP1.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity74
SMILES
CC(C1=CC=CC=C1)N
InChI
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenethylamine
CAS: 618-36-0
CID: 7408
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.6
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