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Screening compounds

LJ 2162

Also known as (1-(N-Diethylamino)-2-(3-caren-2-yl-methoxy)) ethane maleate, Ethanamine, N,N-diethyl-2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)-, (Z)-2-butenedioate (1:1), Diethyl(2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)ethyl)ammonium (Z)-2-butenedioate (1:1)

CAS 70424-79-2Formula C21H35NO5Molar mass 381.51 g/molEC 274-603-4
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LJ 2162 chemical structure, C21H35NO5, CAS 70424-79-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
70424-79-2
Formula
C21H35NO5
Molar mass
381.51 g/mol
EC number
274-603-4
HS code
292219
Category
Screening compounds

What is LJ 2162?

Plain description, key identifiers and synonyms

LJ 2162 is a chemical substance with the molecular formula C21H35NO5 and a molar mass of 381.51 g/mol. Its CAS registry number is 70424-79-2. The IUPAC name is (E)-but-2-enedioic acid, N,N-diethyl-2-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-but-2-enedioic acid, N,N-diethyl-2-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine
CAS number
70424-79-2
EC number
274-603-4
Molecular formula
C21H35NO5
InChIKey
CTJDTGZCMKOVPH-WLHGVMLRSA-N
InChI
InChI=1S/C17H31NO.C4H4O4/c1-6-18(7-2)10-11-19-12-14-13(3)8-9-15-16(14)17(15,4)5;5-3(6)1-2-4(7)8/h8,14-16H,6-7,9-12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
Canonical SMILES
CCN(CC)CCOCC1C(C)=CCC2C1C2(C)C.O=C(O)C=CC(=O)O
Isomeric SMILES
CCN(CC)CCOCC1C2C(C2(C)C)CC=C1C.C(=C/C(=O)O)\C(=O)O

Synonyms

  • (1-(N-Diethylamino)-2-(3-caren-2-yl-methoxy)) ethane maleate
  • Ethanamine, N,N-diethyl-2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)-, (Z)-2-butenedioate (1:1)
  • Diethyl(2-((3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)methoxy)ethyl)ammonium (Z)-2-butenedioate (1:1)

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
381.51 g/molcalc.
Exact mass
381.2515 Dacalc.
LogP (octanol/water)
3.3calc.
Topological polar surface area
87.07 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
9calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.71calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
2calc.
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, C1=CCC2CC2C1

C1=CCC2CC2C1

2 rings, 7 atoms, the cis-Bicyclo(4.1.0)hept-3-ene ring system.

64 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.

LJ 2162 suppliers

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LJ 2162 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 LJ 2162 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 LJ 2162 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about LJ 2162, based on the data on this page

What is LJ 2162?

LJ 2162 is a chemical substance with the molecular formula C21H35NO5 and a molar mass of 381.51 g/mol. Its CAS registry number is 70424-79-2. The IUPAC name is (E)-but-2-enedioic acid, N,N-diethyl-2-[(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methoxy]ethanamine.

What is the CAS number of LJ 2162?

The CAS registry number of LJ 2162 is 70424-79-2.

What is the molecular formula and weight of LJ 2162?

The molecular formula of LJ 2162 is C21H35NO5 and its molar mass is 381.51 g/mol.

What is LJ 2162 used for?

Known uses and roles of LJ 2162 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is LJ 2162 hazardous?

No GHS hazard classification for LJ 2162 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 LJ 2162?

LJ 2162 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 LJ 2162?

Post a free request on CompoundList and suppliers of LJ 2162 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of LJ 2162?

Suppliers quote LJ 2162 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

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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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