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Aromatic building blocks

Dan 2816

Also known as alpha,alpha-Dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)phenethylamine oxalate (2:1), Phenethylamine, alpha,alpha-dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)-, ethanedioate (2:1), Oxalic acid--2-methyl-N-{2-[(4-methylphenyl)(phenyl)methoxy]ethyl}-1-phenylpropan-2-amine (1/2)

CAS 65236-27-3Formula C54H64N2O6Molar mass 837.11 g/mol
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Dan 2816 chemical structure, C54H64N2O6, CAS 65236-27-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65236-27-3
Formula
C54H64N2O6
Molar mass
837.11 g/mol
HS code
292219
Category
Aromatic building blocks

What is Dan 2816?

Plain description, key identifiers and synonyms

Dan 2816 is a chemical substance with the molecular formula C54H64N2O6 and a molar mass of 837.11 g/mol. Its CAS registry number is 65236-27-3. The IUPAC name is bis(2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine), oxalic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis(2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine), oxalic acid
CAS number
65236-27-3 CAS number cross-checked
Molecular formula
C54H64N2O6
InChIKey
OCYOKMYWMRSBLL-UHFFFAOYSA-N
InChI
InChI=1S/2C26H31NO.C2H2O4/c2*1-21-14-16-24(17-15-21)25(23-12-8-5-9-13-23)28-19-18-27-26(2,3)20-22-10-6-4-7-11-22;3-1(4)2(5)6/h2*4-17,25,27H,18-20H2,1-3H3;(H,3,4)(H,5,6)
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNC(C)(C)CC3=CC=CC=C3.CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNC(C)(C)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Synonyms

  • alpha,alpha-Dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)phenethylamine oxalate (2:1)
  • Phenethylamine, alpha,alpha-dimethyl-N-(2-((4-methylphenyl)phenylmethoxy)ethyl)-, ethanedioate (2:1)
  • Oxalic acid--2-methyl-N-{2-[(4-methylphenyl)(phenyl)methoxy]ethyl}-1-phenylpropan-2-amine (1/2)

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
837.11 g/molcalc.
Exact mass
836.4764 Dacalc.
LogP (octanol/water)
10.58calc.
Topological polar surface area
117.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
18calc.
Heavy atoms
62calc.
Rings
6calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
3calc.
Lipinski rule of five
Fails (2 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(CCNCCOC(c2ccccc2)c2ccccc2)cc1

c1ccc(CCNCCOC(c2ccccc2)c2ccccc2)cc1

3 rings, 25 atoms.

6 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.

Dan 2816 suppliers

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Dan 2816 price

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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 Dan 2816 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 Dan 2816 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dan 2816, based on the data on this page

What is Dan 2816?

Dan 2816 is a chemical substance with the molecular formula C54H64N2O6 and a molar mass of 837.11 g/mol. Its CAS registry number is 65236-27-3. The IUPAC name is bis(2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine), oxalic acid.

What is the CAS number of Dan 2816?

The CAS registry number of Dan 2816 is 65236-27-3.

What is the molecular formula and weight of Dan 2816?

The molecular formula of Dan 2816 is C54H64N2O6 and its molar mass is 837.11 g/mol.

What is Dan 2816 used for?

Known uses and roles of Dan 2816 include building blocks in research and laboratory.

Is Dan 2816 hazardous?

No GHS hazard classification for Dan 2816 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 Dan 2816?

Dan 2816 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 Dan 2816?

Post a free request on CompoundList and suppliers of Dan 2816 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Dan 2816?

Suppliers quote Dan 2816 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 Dan 2816

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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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