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Acid, base and phase-transfer catalysts

AA 31

Also known as 1-(((Diethoxyphosphinyl)thio)methyl)octahydro-5-methyl-2H-quinolizinium, 1-(diethoxyphosphorylsulfanylmethyl)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium, 1-(((diethoxyphosphoryl)thio)methyl)-5-methyldecahydroquinolizin-5-ium

CAS 41459-53-4Formula C15H31NO3PS+Molar mass 336.46 g/mol
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AA 31 chemical structure, C15H31NO3PS+, CAS 41459-53-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41459-53-4
Formula
C15H31NO3PS+
Molar mass
336.46 g/mol
HS code
293399
Category
Acid, base and phase-transfer catalysts

What is AA 31?

Plain description, key identifiers and synonyms

AA 31 is a chemical substance with the molecular formula C15H31NO3PS+ and a molar mass of 336.46 g/mol. Its CAS registry number is 41459-53-4. The IUPAC name is 1-(diethoxyphosphorylsulfanylmethyl)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(diethoxyphosphorylsulfanylmethyl)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
CAS number
41459-53-4 CAS number cross-checked
Molecular formula
C15H31NO3PS+
InChIKey
RGBZGILPMBHKDG-UHFFFAOYSA-N
InChI
InChI=1S/C15H31NO3PS/c1-4-18-20(17,19-5-2)21-13-14-9-8-12-16(3)11-7-6-10-15(14)16/h14-15H,4-13H2,1-3H3/q+1
SMILES (canonical and isomeric)
CCOP(=O)(OCC)SCC1CCC[N+]2(C1CCCC2)C

Synonyms

  • 1-(((Diethoxyphosphinyl)thio)methyl)octahydro-5-methyl-2H-quinolizinium
  • 1-(diethoxyphosphorylsulfanylmethyl)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium
  • 1-(((diethoxyphosphoryl)thio)methyl)-5-methyldecahydroquinolizin-5-ium
  • 2H-Quinolizinium, 1-(((diethoxyphosphinyl)thio)methyl)octahydro-5-methyl-
  • 1-{[(Diethoxyphosphoryl)sulfanyl]methyl}-5-methyloctahydro-2H-quinolizin-5-ium

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
336.46 g/molcalc.
Exact mass
336.1757 Dacalc.
LogP (octanol/water)
4.31calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
1calc.
Stereocentres
3calc.
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, C1CCN2CCCCC2C1

C1CCN2CCCCC2C1

2 rings, 10 atoms, the Quinolizidine ring system.

154 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.

AA 31 suppliers

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AA 31 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 AA 31 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 AA 31 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about AA 31, based on the data on this page

What is AA 31?

AA 31 is a chemical substance with the molecular formula C15H31NO3PS+ and a molar mass of 336.46 g/mol. Its CAS registry number is 41459-53-4. The IUPAC name is 1-(diethoxyphosphorylsulfanylmethyl)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium.

What is the CAS number of AA 31?

The CAS registry number of AA 31 is 41459-53-4.

What is the molecular formula and weight of AA 31?

The molecular formula of AA 31 is C15H31NO3PS+ and its molar mass is 336.46 g/mol.

Is AA 31 hazardous?

No GHS hazard classification for AA 31 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 AA 31?

AA 31 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 AA 31?

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What is the price of AA 31?

Suppliers quote AA 31 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 AA 31

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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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