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Isotope-labelled compounds

Deuterated phenylephrine

CAS 3085544-72-2Formula C9H13NO2Molar mass 168.21 g/mol
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Deuterated phenylephrine chemical structure, C9H13NO2, CAS 3085544-72-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3085544-72-2
Formula
C9H13NO2
Molar mass
168.21 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Deuterated phenylephrine?

Plain description, key identifiers and synonyms

Deuterated phenylephrine is a chemical substance with the molecular formula C9H13NO2 and a molar mass of 168.21 g/mol. Its CAS registry number is 3085544-72-2. The IUPAC name is 4-deuterio-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-deuterio-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
CAS number
3085544-72-2
Molecular formula
C9H13NO2
InChIKey
SONNWYBIRXJNDC-RSWKVCLOSA-N
InChI
InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1/i3D
Canonical SMILES
CNCC(O)c1cccc(O)c1
Isomeric SMILES
[2H]C1=CC=C(C=C1[C@H](CNC)O)O

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
168.21 g/molcalc.
Exact mass
168.1009 Dacalc.
LogP (octanol/water)
0.64calc.
Topological polar surface area
52.49 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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, 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.

Deuterated phenylephrine suppliers

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

Frequently asked questions

Quick answers about Deuterated phenylephrine, based on the data on this page

What is Deuterated phenylephrine?

Deuterated phenylephrine is a chemical substance with the molecular formula C9H13NO2 and a molar mass of 168.21 g/mol. Its CAS registry number is 3085544-72-2. The IUPAC name is 4-deuterio-3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

What is the CAS number of Deuterated phenylephrine?

The CAS registry number of Deuterated phenylephrine is 3085544-72-2.

What is the molecular formula and weight of Deuterated phenylephrine?

The molecular formula of Deuterated phenylephrine is C9H13NO2 and its molar mass is 168.21 g/mol.

What is Deuterated phenylephrine used for?

Known uses and roles of Deuterated phenylephrine include isotope-labelled compounds in research and laboratory.

Is Deuterated phenylephrine hazardous?

No GHS hazard classification for Deuterated phenylephrine 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 Deuterated phenylephrine?

Deuterated phenylephrine 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 Deuterated phenylephrine?

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

What is the price of Deuterated phenylephrine?

Suppliers quote Deuterated phenylephrine 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 Deuterated phenylephrine

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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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