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Screening compounds

Amalic acid

Also known as 5, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-, 5,5'-Dihydroxy-1,1',3,3'-tetramethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone, [5,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-

CAS 2835-45-2Formula C12H14N4O8Molar mass 342.26 g/mol
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Amalic acid chemical structure, C12H14N4O8, CAS 2835-45-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2835-45-2
Formula
C12H14N4O8
Molar mass
342.26 g/mol
HS code
293359
Category
Screening compounds

What is Amalic acid?

Plain description, key identifiers and synonyms

Amalic acid is a chemical substance with the molecular formula C12H14N4O8 and a molar mass of 342.26 g/mol. Its CAS registry number is 2835-45-2. The IUPAC name is 5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CAS number
2835-45-2 CAS number cross-checked
Molecular formula
C12H14N4O8
InChIKey
RPUHUBBSMULFQR-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O8/c1-13-5(17)11(23,6(18)14(2)9(13)21)12(24)7(19)15(3)10(22)16(4)8(12)20/h23-24H,1-4H3
SMILES (canonical and isomeric)
CN1C(=O)C(C(=O)N(C1=O)C)(C2(C(=O)N(C(=O)N(C2=O)C)C)O)O

Synonyms

  • 5, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-
  • 5,5'-Dihydroxy-1,1',3,3'-tetramethyl[5,5'-bi-1,3-diazinane]-2,2',4,4',6,6'-hexone
  • [5,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-1,1',3,3'-tetramethyl-

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
342.26 g/molcalc.
Exact mass
342.0812 Dacalc.
LogP (octanol/water)
-3.45calc.
Topological polar surface area
155.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
1calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
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=C1NC(=O)C(C2C(=O)NC(=O)NC2=O)C(=O)N1

O=C1NC(=O)C(C2C(=O)NC(=O)NC2=O)C(=O)N1

2 rings, 18 atoms, the [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone ring system.

7 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.

Amalic acid suppliers

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Amalic acid 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 Amalic acid is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Amalic acid, based on the data on this page

What is Amalic acid?

Amalic acid is a chemical substance with the molecular formula C12H14N4O8 and a molar mass of 342.26 g/mol. Its CAS registry number is 2835-45-2. The IUPAC name is 5-hydroxy-5-(5-hydroxy-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

What is the CAS number of Amalic acid?

The CAS registry number of Amalic acid is 2835-45-2.

What is the molecular formula and weight of Amalic acid?

The molecular formula of Amalic acid is C12H14N4O8 and its molar mass is 342.26 g/mol.

What is Amalic acid used for?

Known uses and roles of Amalic acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Amalic acid hazardous?

No GHS hazard classification for Amalic acid 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 Amalic acid?

Amalic acid is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Amalic acid?

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

What is the price of Amalic acid?

Suppliers quote Amalic acid 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 Amalic acid

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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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