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2-Phenyl Ethylamine for Synthesis

CAT: 0459-188445-01Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0459-188445-01Size:500 mL
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CAS Number
64-04-0

Chemical Information

Phenethylamine

2-phenylethylamine is a phenylethylamine having the phenyl substituent at the 2-position. It has a role as a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is an aralkylamine, an alkaloid and a phenylethylamine. It is a conjugate base of a 2-phenylethanaminium.

CAS Number64-04-0
PubChem CID1001
IUPAC Name2-phenylethanamine
Molecular FormulaC8H11N
Molecular Weight121.18
XLogP1.4
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
C1=CC=C(C=C1)CCN
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenethylamine
CAS: 64-04-0
CID: 1001
Formula: C8H11N
MW: 121.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.18
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass121.089149355
Monoisotopic Mass121.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity65
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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