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Aromatic building blocks

PHE-beta-ALA

Also known as L-phenylalanyl-beta-alanine, L-Phe-beta-Ala, phenylalanyl-beta-alanine

CAS 54745-27-6Formula C12H16N2O3Molar mass 236.27 g/mol
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PHE-beta-ALA chemical structure, C12H16N2O3, CAS 54745-27-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
54745-27-6
Formula
C12H16N2O3
Molar mass
236.27 g/mol
HS code
292429
Category
Aromatic building blocks

What is PHE-beta-ALA?

Plain description, key identifiers and synonyms

Phe-beta-Ala is a dipeptide formed from L-phenylalanine and beta-alanine residues.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
CAS number
54745-27-6 CAS number cross-checked
Molecular formula
C12H16N2O3
InChIKey
DJOQXEVNENIIIV-JTQLQIEISA-N
InChI
InChI=1S/C12H16N2O3/c13-10(8-9-4-2-1-3-5-9)12(17)14-7-6-11(15)16/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1
Canonical SMILES
NC(Cc1ccccc1)C(=O)NCCC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)O)N

Synonyms

  • L-phenylalanyl-beta-alanine
  • L-Phe-beta-Ala
  • phenylalanyl-beta-alanine
  • H-Phe-|A-Ala-OH
  • H-Phe-Beta-Ala-OH
  • 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
  • H-Phe--Ala-OH
  • (S)-3-(2-Amino-3-phenylPropanamido)Propanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
236.27 g/molcalc.
Exact mass
236.1161 Dacalc.
LogP (octanol/water)
0.15calc.
Topological polar surface area
92.42 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PHE-beta-ALA suppliers

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PHE-beta-ALA price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PHE-beta-ALA is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PHE-beta-ALA is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PHE-beta-ALA, based on the data on this page

What is PHE-beta-ALA?

Phe-beta-Ala is a dipeptide formed from L-phenylalanine and beta-alanine residues.

What is the CAS number of PHE-beta-ALA?

The CAS registry number of PHE-beta-ALA is 54745-27-6.

What is the molecular formula and weight of PHE-beta-ALA?

The molecular formula of PHE-beta-ALA is C12H16N2O3 and its molar mass is 236.27 g/mol.

What is PHE-beta-ALA used for?

Known uses and roles of PHE-beta-ALA include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PHE-beta-ALA hazardous?

No GHS hazard classification for PHE-beta-ALA is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PHE-beta-ALA?

PHE-beta-ALA is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PHE-beta-ALA?

Post a free request on CompoundList and suppliers of PHE-beta-ALA will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PHE-beta-ALA?

Suppliers quote PHE-beta-ALA on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PHE-beta-ALA

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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