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Aromatic building blocks

Avenanthramide 1c

Also known as 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]benzoic acid, 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]benzoic Acid, N-[3,4-Dihydroxy-(E)-cinnamoyl]-anthranilic acid

CAS 116764-16-0Formula C16H13NO5Molar mass 299.28 g/mol
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Avenanthramide 1c chemical structure, C16H13NO5, CAS 116764-16-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
116764-16-0
Formula
C16H13NO5
Molar mass
299.28 g/mol
HS code
292429
Category
Aromatic building blocks

What is Avenanthramide 1c?

Plain description, key identifiers and synonyms

Avenanthramide 1c is an alkaloid and a member of benzamides.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CAS number
116764-16-0
Molecular formula
C16H13NO5
InChIKey
LLPIRWBXMYKFQM-SOFGYWHQSA-N
InChI
InChI=1S/C16H13NO5/c18-13-7-5-10(9-14(13)19)6-8-15(20)17-12-4-2-1-3-11(12)16(21)22/h1-9,18-19H,(H,17,20)(H,21,22)/b8-6+
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)Nc1ccccc1C(=O)O
Isomeric SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)O)O

Synonyms

  • 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]benzoic acid
  • 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]benzoic Acid
  • N-[3,4-Dihydroxy-(E)-cinnamoyl]-anthranilic acid
  • 2-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]amino}benzoic acid
  • (E)-2-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]amino]benzoic acid
  • 2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]amino]benzoic 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
299.28 g/molcalc.
Exact mass
299.0794 Dacalc.
LogP (octanol/water)
2.45calc.
Topological polar surface area
106.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C(C=Cc1ccccc1)Nc1ccccc1

O=C(C=Cc1ccccc1)Nc1ccccc1

2 rings, 17 atoms.

1,928 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.

Avenanthramide 1c suppliers

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Avenanthramide 1c 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 Avenanthramide 1c 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 Avenanthramide 1c is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Avenanthramide 1c, based on the data on this page

What is Avenanthramide 1c?

Avenanthramide 1c is an alkaloid and a member of benzamides.

What is the CAS number of Avenanthramide 1c?

The CAS registry number of Avenanthramide 1c is 116764-16-0.

What is the molecular formula and weight of Avenanthramide 1c?

The molecular formula of Avenanthramide 1c is C16H13NO5 and its molar mass is 299.28 g/mol.

What is Avenanthramide 1c used for?

Known uses and roles of Avenanthramide 1c include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Avenanthramide 1c hazardous?

No GHS hazard classification for Avenanthramide 1c 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 Avenanthramide 1c?

Avenanthramide 1c 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 Avenanthramide 1c?

Post a free request on CompoundList and suppliers of Avenanthramide 1c will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Avenanthramide 1c?

Suppliers quote Avenanthramide 1c 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 Avenanthramide 1c

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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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