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Isotope-labelled compounds

Valproic acid-D4

Also known as 2-(Propyl-1,1-d2)pentanoic-3,3-d2 acid, 3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid, TMIJ-0163

CAS 87745-17-3Formula C8H16O2Molar mass 148.24 g/mol
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Valproic acid-D4 chemical structure, C8H16O2, CAS 87745-17-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87745-17-3
Formula
C8H16O2
Molar mass
148.24 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Valproic acid-D4?

Plain description, key identifiers and synonyms

Valproic acid-D4 is a chemical substance with the molecular formula C8H16O2 and a molar mass of 148.24 g/mol. Its CAS registry number is 87745-17-3. The IUPAC name is 3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid
CAS number
87745-17-3
Molecular formula
C8H16O2
InChIKey
NIJJYAXOARWZEE-NZLXMSDQSA-N
InChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i5D2,6D2
Canonical SMILES
CCCC(CCC)C(=O)O
Isomeric SMILES
[2H]C([2H])(CC)C(C(=O)O)C([2H])([2H])CC

Synonyms

  • 2-(Propyl-1,1-d2)pentanoic-3,3-d2 acid
  • 3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid
  • TMIJ-0163
  • 2-[(1,1-?H?)propyl](3,3-?H?)pentanoic 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
148.24 g/molcalc.
Exact mass
148.1401 Dacalc.
LogP (octanol/water)
2.29calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Valproic acid-D4 suppliers

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Valproic acid-D4 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 Valproic acid-D4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Valproic acid-D4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Valproic acid-D4, based on the data on this page

What is Valproic acid-D4?

Valproic acid-D4 is a chemical substance with the molecular formula C8H16O2 and a molar mass of 148.24 g/mol. Its CAS registry number is 87745-17-3. The IUPAC name is 3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid.

What is the CAS number of Valproic acid-D4?

The CAS registry number of Valproic acid-D4 is 87745-17-3.

What is the molecular formula and weight of Valproic acid-D4?

The molecular formula of Valproic acid-D4 is C8H16O2 and its molar mass is 148.24 g/mol.

What is Valproic acid-D4 used for?

Known uses and roles of Valproic acid-D4 include isotope-labelled compounds in research and laboratory.

Is Valproic acid-D4 hazardous?

No GHS hazard classification for Valproic acid-D4 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 Valproic acid-D4?

Valproic acid-D4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Valproic acid-D4?

Post a free request on CompoundList and suppliers of Valproic acid-D4 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Valproic acid-D4?

Suppliers quote Valproic acid-D4 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 Valproic acid-D4

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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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