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Acid, base and phase-transfer catalysts

Detajmium

Formula C27H42N3O3+Molar mass 456.65 g/mol
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Detajmium chemical structure, C27H42N3O3+
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C27H42N3O3+
Molar mass
456.65 g/mol
HS code
293399
Category
Acid, base and phase-transfer catalysts

What is Detajmium?

Plain description, key identifiers and synonyms

Detajmium is a chemical substance with the molecular formula C27H42N3O3+ and a molar mass of 456.65 g/mol. The IUPAC name is (1R,9R,10S,12R,13S,14R,16S,17S)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,9R,10S,12R,13S,14R,16S,17S)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Molecular formula
C27H42N3O3+
InChIKey
IXLGLCQSNUMEGQ-HYVRMPICSA-N
InChI
InChI=1S/C27H42N3O3/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18-,21-,22-,23-,24-,25?,26+,27+,30?/m0/s1
Canonical SMILES
CCC1C2CC3C4N(C)c5ccccc5C45CC(C2C5O)[N+]3(CC(O)CN(CC)CC)C1O
Isomeric SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2C5O)[N+]3([C@@H]1O)CC(CN(CC)CC)O)C6=CC=CC=C6N4C

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
456.65 g/molcalc.
Exact mass
456.3221 Dacalc.
LogP (octanol/water)
1.77calc.
Topological polar surface area
67.17 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.78calc.
Formal charge
1calc.
Stereocentres
11calc.
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, c1ccc2c(c1)NC1C3CC4CCN3C3CC21CC43

c1ccc2c(c1)NC1C3CC4CCN3C3CC21CC43

7 rings, 19 atoms.

68 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.

Detajmium suppliers

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Detajmium 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Detajmium is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Detajmium?

Detajmium is a chemical substance with the molecular formula C27H42N3O3+ and a molar mass of 456.65 g/mol. The IUPAC name is (1R,9R,10S,12R,13S,14R,16S,17S)-15-[3-(diethylamino)-2-hydroxypropyl]-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.

What is the molecular formula and weight of Detajmium?

The molecular formula of Detajmium is C27H42N3O3+ and its molar mass is 456.65 g/mol.

Is Detajmium hazardous?

No GHS hazard classification for Detajmium 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 Detajmium?

Detajmium is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Detajmium?

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What is the price of Detajmium?

Suppliers quote Detajmium 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 Detajmium

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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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