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Isotope-labelled compounds

Dimethomorph-d8

Also known as (E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-2-en-1-one, Dimethomorph-d8 (morpholine-d8) (E/Z mixture)

CAS 1346606-71-0Formula C21H22ClNO4Molar mass 395.91 g/mol
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Dimethomorph-d8 chemical structure, C21H22ClNO4, CAS 1346606-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1346606-71-0
Formula
C21H22ClNO4
Molar mass
395.91 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Dimethomorph-d8?

Plain description, key identifiers and synonyms

Dimethomorph-d8 is a chemical substance with the molecular formula C21H22ClNO4 and a molar mass of 395.91 g/mol. Its CAS registry number is 1346606-71-0. The IUPAC name is (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-2-en-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-2-en-1-one
CAS number
1346606-71-0
Molecular formula
C21H22ClNO4
InChIKey
QNBTYORWCCMPQP-RLTCFVBRSA-N
InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+/i9D2,10D2,11D2,12D2
Canonical SMILES
COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC
Isomeric SMILES
[2H]C1(C(OC(C(N1C(=O)/C=C(\C2=CC=C(C=C2)Cl)/C3=CC(=C(C=C3)OC)OC)([2H])[2H])([2H])[2H])([2H])[2H])[2H]

Synonyms

  • (E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-2-en-1-one
  • Dimethomorph-d8 (morpholine-d8) (E/Z mixture)

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
395.91 g/molcalc.
Exact mass
395.174 Dacalc.
LogP (octanol/water)
3.65calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
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=C(c1ccccc1)c1ccccc1)N1CCOCC1

O=C(C=C(c1ccccc1)c1ccccc1)N1CCOCC1

3 rings, 22 atoms.

14 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.

Dimethomorph-d8 suppliers

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Dimethomorph-d8 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 Dimethomorph-d8 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 Dimethomorph-d8 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dimethomorph-d8, based on the data on this page

What is Dimethomorph-d8?

Dimethomorph-d8 is a chemical substance with the molecular formula C21H22ClNO4 and a molar mass of 395.91 g/mol. Its CAS registry number is 1346606-71-0. The IUPAC name is (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)prop-2-en-1-one.

What is the CAS number of Dimethomorph-d8?

The CAS registry number of Dimethomorph-d8 is 1346606-71-0.

What is the molecular formula and weight of Dimethomorph-d8?

The molecular formula of Dimethomorph-d8 is C21H22ClNO4 and its molar mass is 395.91 g/mol.

What is Dimethomorph-d8 used for?

Known uses and roles of Dimethomorph-d8 include isotope-labelled compounds in research and laboratory.

Is Dimethomorph-d8 hazardous?

No GHS hazard classification for Dimethomorph-d8 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 Dimethomorph-d8?

Dimethomorph-d8 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 Dimethomorph-d8?

Post a free request on CompoundList and suppliers of Dimethomorph-d8 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dimethomorph-d8?

Suppliers quote Dimethomorph-d8 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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