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Screening compounds

Aba-nat

Also known as ABA-Tyr, N-acetyltyrosine-4-azobenzenearsonic acid, ABA-L-tyrosine

CAS 39927-13-4Formula C17H18AsN3O7Molar mass 451.27 g/mol
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Aba-nat chemical structure, C17H18AsN3O7, CAS 39927-13-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39927-13-4
Formula
C17H18AsN3O7
Molar mass
451.27 g/mol
HS code
293190
Category
Screening compounds

What is Aba-nat?

Plain description, key identifiers and synonyms

N-acetyltyrosine-4-azobenzenearsonic acid is an L-tyrosine derivative having an Nalpha-acetyl substituent and a 4-arsonophenyldiazenyl group at the 3-position of the benzene ring. It is a L-tyrosine derivative and a monoazo compound. It is functionally related to an arsanilic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]propanoic acid
CAS number
39927-13-4
Molecular formula
C17H18AsN3O7
InChIKey
JOEPQBSJSKBHBS-HNNXBMFYSA-N
InChI
InChI=1S/C17H18AsN3O7/c1-10(22)19-15(17(24)25)9-11-2-7-16(23)14(8-11)21-20-13-5-3-12(4-6-13)18(26,27)28/h2-8,15,23H,9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)/t15-/m0/s1
Canonical SMILES
CC(=O)NC(Cc1ccc(O)c(N=Nc2ccc([As](=O)(O)O)cc2)c1)C(=O)O
Isomeric SMILES
CC(=O)N[C@@H](CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)[As](=O)(O)O)C(=O)O

Synonyms

  • ABA-Tyr
  • N-acetyltyrosine-4-azobenzenearsonic acid
  • ABA-L-tyrosine
  • Azobenzenearsonate-N-acetyl-L-tyrosine
  • ABA-L-Tyr
  • N-acetyl-3-[(4-arsonophenyl)diazenyl]-L-tyrosine
  • mono-azobenzenearsonate-N-acetyl-L-tyrosine
  • N-acetyltyrosine-4-azobenzenearsonate-L-tyrosine
  • L-Tyrosine, N-acetyl-3-((4-arsonophenyl)azo)-
  • N-Acetyl-3-[(4-arsonophenyl)azo]-L-tyrosine
  • (2S)-2-acetamido-3-[3-[(4-arsonophenyl)diazenyl]-4-hydroxyphenyl]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
451.27 g/molcalc.
Exact mass
451.0361 Dacalc.
LogP (octanol/water)
0.5calc.
Topological polar surface area
168.9 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.18calc.
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, c1ccc(N=Nc2ccccc2)cc1

c1ccc(N=Nc2ccccc2)cc1

2 rings, 14 atoms, the Azobenzene ring system.

3,419 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.

Aba-nat suppliers

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Aba-nat price

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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 Aba-nat is traded under.

HS 2931.90Indicative HS code

Organo-inorganic compounds, other than tetramethyl lead, tetraethyl lead, tributyltin compounds…

World exports in 2024
$3.97B
+5.3% vs 2023, imports $3.93B
2019 to 2024
Top exporters
  1. China28.3%
  2. United States15.6%
  3. Germany15.1%
Top importers
  1. United States14.6%
  2. China13.0%
  3. South Korea8.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Aba-nat, based on the data on this page

What is Aba-nat?

N-acetyltyrosine-4-azobenzenearsonic acid is an L-tyrosine derivative having an Nalpha-acetyl substituent and a 4-arsonophenyldiazenyl group at the 3-position of the benzene ring. It is a L-tyrosine derivative and a monoazo compound. It is functionally related to an arsanilic acid.

What is the CAS number of Aba-nat?

The CAS registry number of Aba-nat is 39927-13-4.

What is the molecular formula and weight of Aba-nat?

The molecular formula of Aba-nat is C17H18AsN3O7 and its molar mass is 451.27 g/mol.

What is Aba-nat used for?

Known uses and roles of Aba-nat include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Aba-nat hazardous?

No GHS hazard classification for Aba-nat 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 Aba-nat?

Aba-nat is usually classified under HS code 293190 (X. ORGANO-INORGANIC COMPOUNDS, HETEROCYCLIC COMPOUNDS, NUCLEIC ACIDS AND THEIR SALTS…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aba-nat?

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What is the price of Aba-nat?

Suppliers quote Aba-nat 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

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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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