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Screening compounds

Bufenadrine

Also known as Bufenadrina, Bufenadrine, (-)-, Bufenadrine, (+)-

CAS 604-74-0Formula C21H29NOMolar mass 311.47 g/mol
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Bufenadrine chemical structure, C21H29NO, CAS 604-74-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
604-74-0
Formula
C21H29NO
Molar mass
311.47 g/mol
HS code
292219
Category
Screening compounds

What is Bufenadrine?

Plain description, key identifiers and synonyms

Bufenadrine is a chemical substance with the molecular formula C21H29NO and a molar mass of 311.47 g/mol. Its CAS registry number is 604-74-0. The IUPAC name is 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CAS number
604-74-0 CAS number cross-checkedOther or deprecated CAS: 33431-11-7, 33431-12-8
Molecular formula
C21H29NO
UNII
9Y0T619B3U, M8E6NL8ES0, TZ26192UEK
InChIKey
OGNRRAFRDFGFKA-UHFFFAOYSA-N
InChI
InChI=1S/C21H29NO/c1-21(2,3)19-14-10-9-13-18(19)20(23-16-15-22(4)5)17-11-7-6-8-12-17/h6-14,20H,15-16H2,1-5H3
SMILES (canonical and isomeric)
CC(C)(C)C1=CC=CC=C1C(C2=CC=CC=C2)OCCN(C)C

Synonyms

  • Bufenadrina
  • Bufenadrine, (-)-
  • Bufenadrine, (+)-
  • B.S. 6534
  • 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
  • Buphenadrin
  • Ethanamine, 2-((2-(1,1-dimethylethyl)phenyl)phenylmethoxy)-N,N-dimethyl-, (-)-
  • Bufenadrinum
  • Ethanamine, 2-((2-(1,1-dimethylethyl)phenyl)phenylmethoxy)-N,N-dimethyl-, (+)-
  • 2-(o-tert-Butyl-alpha-phenylbenzyloxy)-N,N-dimethylethylamine, 2-tert-Butyldiphenhydramine
  • 2-(2-tert-Butylbenzhydryloxy)-N,N-dimethylethylamin
  • 2-((o-tert-Butyl-alpha-phenyl-benzyl)oxy)-N,N-dimethylethylamine.
  • 2-((o-tert-Butyl-alpha-phenylbenzyl)oxy)-N,N-dimethylethylamine
  • 2-[(2-tert-Butylphenyl)(phenyl)methoxy]-N,N-dimethylethan-1-amine
  • 2-(o-tert-Butyl--phenylbenzyloxy)-N,N-dimethylethylamine, 2-tert-Butyldiphenhydramine

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
311.47 g/molcalc.
Exact mass
311.2249 Dacalc.
LogP (octanol/water)
4.65calc.
Topological polar surface area
12.47 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.43calc.
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, c1ccc(Cc2ccccc2)cc1

c1ccc(Cc2ccccc2)cc1

2 rings, 13 atoms, the Diphenylmethane ring system.

8,982 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.

Bufenadrine suppliers

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Bufenadrine 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 Bufenadrine is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Bufenadrine, based on the data on this page

What is Bufenadrine?

Bufenadrine is a chemical substance with the molecular formula C21H29NO and a molar mass of 311.47 g/mol. Its CAS registry number is 604-74-0. The IUPAC name is 2-[(2-tert-butylphenyl)-phenylmethoxy]-N,N-dimethylethanamine.

What is the CAS number of Bufenadrine?

The CAS registry number of Bufenadrine is 604-74-0. Other or deprecated CAS numbers: 33431-11-7, 33431-12-8.

What is the molecular formula and weight of Bufenadrine?

The molecular formula of Bufenadrine is C21H29NO and its molar mass is 311.47 g/mol.

What is Bufenadrine used for?

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

Is Bufenadrine hazardous?

No GHS hazard classification for Bufenadrine 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 Bufenadrine?

Bufenadrine is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bufenadrine?

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

What is the price of Bufenadrine?

Suppliers quote Bufenadrine 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 Bufenadrine

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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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