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Heterocyclic building blocks

Dimotapp

CAS 87453-66-5Formula C38H51Cl3N4O7Molar mass 782.21 g/mol
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Dimotapp chemical structure, C38H51Cl3N4O7, CAS 87453-66-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87453-66-5
Formula
C38H51Cl3N4O7
Molar mass
782.21 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Dimotapp?

Plain description, key identifiers and synonyms

Dimotapp is a chemical substance with the molecular formula C38H51Cl3N4O7 and a molar mass of 782.21 g/mol. Its CAS registry number is 87453-66-5. The IUPAC name is (2R)-2-amino-1-phenylpropan-1-ol, (Z)-but-2-enedioic acid, 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine, 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2-amino-1-phenylpropan-1-ol, (Z)-but-2-enedioic acid, 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine, 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol, dihydrochloride
CAS number
87453-66-5
Molecular formula
C38H51Cl3N4O7
InChIKey
HPLJKIRKESVBEY-ZGOLLYJASA-N
InChI
InChI=1S/C16H19ClN2.C9H13NO2.C9H13NO.C4H4O4.2ClH/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;1-10-6-9(12)7-3-2-4-8(11)5-7;1-7(10)9(11)8-5-3-2-4-6-8;5-3(6)1-2-4(7)8;;/h3-9,11,15H,10,12H2,1-2H3;2-5,9-12H,6H2,1H3;2-7,9,11H,10H2,1H3;1-2H,(H,5,6)(H,7,8);2*1H/b;;;2-1-;;/t;9-;7-,9?;;;/m.01.../s1
Canonical SMILES
CC(N)C(O)c1ccccc1.CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.CNCC(O)c1cccc(O)c1.Cl.Cl.O=C(O)C=CC(=O)O
Isomeric SMILES
C[C@H](C(C1=CC=CC=C1)O)N.CNC[C@@H](C1=CC(=CC=C1)O)O.CN(C)CCC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O.Cl.Cl

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
782.21 g/molcalc.
Exact mass
780.2823 Dacalc.
LogP (octanol/water)
6.09calc.
Topological polar surface area
189.5 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
12calc.
Heavy atoms
52calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
6calc.
Lipinski rule of five
Fails (3 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(Cc2ccccn2)cc1

c1ccc(Cc2ccccn2)cc1

2 rings, 13 atoms, the 2-(Phenylmethyl)pyridine ring system.

671 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.

Dimotapp suppliers

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Dimotapp 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 Dimotapp is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Dimotapp?

Dimotapp is a chemical substance with the molecular formula C38H51Cl3N4O7 and a molar mass of 782.21 g/mol. Its CAS registry number is 87453-66-5.

What is the CAS number of Dimotapp?

The CAS registry number of Dimotapp is 87453-66-5.

What is the molecular formula and weight of Dimotapp?

The molecular formula of Dimotapp is C38H51Cl3N4O7 and its molar mass is 782.21 g/mol.

What is Dimotapp used for?

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

Is Dimotapp hazardous?

No GHS hazard classification for Dimotapp 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 Dimotapp?

Dimotapp is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dimotapp?

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What is the price of Dimotapp?

Suppliers quote Dimotapp 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 Dimotapp

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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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