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Afalanine

CAT: 0127-BUP17977-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17977-01Size:200 mg
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CAS Number
2901-75-9
Synonyms
N-Acetyl-DL-phenylalanine
Purity
=98%
Smiles
CC(=O)NC(Cc1ccccc1)C(O)=O

Chemical Information

Afalanine

N-acetylphenylalanine is the N-acetyl derivative of phenylalanine. It has a role as a metabolite and an antidepressant. It is a N-acetyl-amino acid and a phenylalanine derivative.

CAS Number2901-75-9
PubChem CID2000
IUPAC Name2-acetamido-3-phenylpropanoic acid
Molecular FormulaC11H13NO3
Molecular Weight207.23
XLogP0.6
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity234
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
InChIKey
CBQJSKKFNMDLON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Afalanine
CAS: 2901-75-9
CID: 2000
Formula: C11H13NO3
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass207.08954328
Monoisotopic Mass207.08954328
Topological Polar Surface Area66.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity234
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

Alternative Products

CatalogName
GTR19176797-01Afalanine
MBS5779320Afalanine sodium
HY-B1086R-01Afalanine (Standard)
C10893Afalanine (N-Acetyl-DL-phenylalanine)

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