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Aromatic building blocks

4AF9Asm6B7

Also known as 2-Aminoethanol 3,4,5-trihydroxybenzoic acid, 3,4,5-trihydroxybenzoic acid compd. with 2-aminoethanol, Benzoic acid, 3,4,5-trihydroxy-, compd. with 2-aminoethanol

CAS 862722-82-5Formula C9H13NO6Molar mass 231.20 g/mol
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4AF9Asm6B7 chemical structure, C9H13NO6, CAS 862722-82-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
862722-82-5
Formula
C9H13NO6
Molar mass
231.20 g/mol
HS code
291829
Category
Aromatic building blocks

What is 4AF9Asm6B7?

Plain description, key identifiers and synonyms

4AF9Asm6B7 is a chemical substance with the molecular formula C9H13NO6 and a molar mass of 231.20 g/mol. Its CAS registry number is 862722-82-5. The IUPAC name is 2-aminoethanol, 3,4,5-trihydroxybenzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-aminoethanol, 3,4,5-trihydroxybenzoic acid
CAS number
862722-82-5
Molecular formula
C9H13NO6
UNII
4AF9ASM6B7
InChIKey
YNEARNXGOUSHJK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O5.C2H7NO/c8-4-1-3(7(11)12)2-5(9)6(4)10;3-1-2-4/h1-2,8-10H,(H,11,12);4H,1-3H2
SMILES (canonical and isomeric)
C1=C(C=C(C(=C1O)O)O)C(=O)O.C(CO)N

Synonyms

  • 2-Aminoethanol 3,4,5-trihydroxybenzoic acid
  • 3,4,5-trihydroxybenzoic acid compd. with 2-aminoethanol
  • Benzoic acid, 3,4,5-trihydroxy-, compd. with 2-aminoethanol
  • Benzoic acid, 3,4,5-trihydroxy-, compd. with 2-aminoethanol (1:1)

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
231.20 g/molcalc.
Exact mass
231.0743 Dacalc.
LogP (octanol/water)
-0.56calc.
Topological polar surface area
144.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (1 violation)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.

4AF9Asm6B7 suppliers

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4AF9Asm6B7 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 4AF9Asm6B7 is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

The HS code shown for 4AF9Asm6B7 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4AF9Asm6B7, based on the data on this page

What is 4AF9Asm6B7?

4AF9Asm6B7 is a chemical substance with the molecular formula C9H13NO6 and a molar mass of 231.20 g/mol. Its CAS registry number is 862722-82-5. The IUPAC name is 2-aminoethanol, 3,4,5-trihydroxybenzoic acid.

What is the CAS number of 4AF9Asm6B7?

The CAS registry number of 4AF9Asm6B7 is 862722-82-5.

What is the molecular formula and weight of 4AF9Asm6B7?

The molecular formula of 4AF9Asm6B7 is C9H13NO6 and its molar mass is 231.20 g/mol.

What is 4AF9Asm6B7 used for?

Known uses and roles of 4AF9Asm6B7 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 4AF9Asm6B7 hazardous?

No GHS hazard classification for 4AF9Asm6B7 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 4AF9Asm6B7?

4AF9Asm6B7 is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4AF9Asm6B7?

Post a free request on CompoundList and suppliers of 4AF9Asm6B7 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4AF9Asm6B7?

Suppliers quote 4AF9Asm6B7 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 4AF9Asm6B7

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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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