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Aliphatic and alicyclic building blocks

Xinjunan

Also known as dioctyldiethylenetriamine, 1,2-Ethanediamine, N-octyl-N'-(2-(octylamino)ethyl)-, 1,2-Ethanediamine, N-octyl-N'-[2-(octylamino)ethyl]-

CAS 57413-95-3Formula C20H45N3Molar mass 327.60 g/molEC 260-725-5
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment
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Xinjunan chemical structure, C20H45N3, CAS 57413-95-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57413-95-3
Formula
C20H45N3
Molar mass
327.60 g/mol
EC number
260-725-5
HS code
292129
Category
Aliphatic and alicyclic building blocks

What is Xinjunan?

Plain description, key identifiers and synonyms

Xinjunan is a chemical substance with the molecular formula C20H45N3 and a molar mass of 327.60 g/mol. Its CAS registry number is 57413-95-3. The IUPAC name is N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
CAS number
57413-95-3 CAS number cross-checked
EC number
260-725-5
Molecular formula
C20H45N3
UNII
FO4S6R9L1R
InChIKey
OXWFFWJKUNMMSO-UHFFFAOYSA-N
InChI
InChI=1S/C20H45N3/c1-3-5-7-9-11-13-15-21-17-19-23-20-18-22-16-14-12-10-8-6-4-2/h21-23H,3-20H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCCCNCCNCCNCCCCCCCC

Synonyms

  • dioctyldiethylenetriamine
  • 1,2-Ethanediamine, N-octyl-N'-(2-(octylamino)ethyl)-
  • 1,2-Ethanediamine, N-octyl-N'-[2-(octylamino)ethyl]-
  • N-Octyl-N'-(2-(octylamino)ethyl)ethylenediamine
  • N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine
  • N-Octyl-N'-[2-(octylamino)ethyl]ethylenediamine
  • N,N''-Dioctyldiethylenetriamine
  • 1,2-Ethanediamine, N1-octyl-N2-(2-(octylamino)ethyl)-
  • Seboctylamine
  • 1,2-Ethanediamine, N1-octyl-N2-[2-(octylamino)ethyl]-
  • 1,2-Ethanediamine, N-octyl-N'-[2-(octylamino)ethyl]- (9CI), N1-Octyl-N2-[2-(octylamino)ethyl]-1,2-ethanediamine, Dioctyldiethylenetriamine, Xinjunan
  • Xinjunan (single isomer)
  • N1-octyl-N2-[2-(octylamino)ethyl]ethylenediamine
  • n1-octyl-n2-(2-(octylamino)ethyl)ethane-1,2-diamine
  • N1-octyl-N2-[2-(octylamino)ethyl]-1,2-ethanediamine
  • N~1~-Octyl-N~2~-[2-(octylamino)ethyl]ethane-1,2-diamine
  • N,N''-Dioctyldiethylenetriamine 100 microg/mL in Acetonitrile

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
327.60 g/molcalc.
Exact mass
327.3613 Dacalc.
LogP (octanol/water)
4.48calc.
Topological polar surface area
36.09 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
20calc.
Heavy atoms
23calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (15)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Xinjunan suppliers

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Xinjunan 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Xinjunan is traded under.

HS 2921.29Indicative HS code

Acyclic polyamines and their derivatives, salts thereof, other

World exports in 2024
$1.16B
+1.0% vs 2023, imports $1.12B
2019 to 2024
Top exporters
  1. Japan16.6%
  2. China14.4%
  3. Netherlands13.6%
Top importers
  1. China15.2%
  2. United States11.2%
  3. Germany8.0%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Xinjunan?

Xinjunan is a chemical substance with the molecular formula C20H45N3 and a molar mass of 327.60 g/mol. Its CAS registry number is 57413-95-3. The IUPAC name is N-octyl-N'-[2-(octylamino)ethyl]ethane-1,2-diamine.

What is the CAS number of Xinjunan?

The CAS registry number of Xinjunan is 57413-95-3.

What is the molecular formula and weight of Xinjunan?

The molecular formula of Xinjunan is C20H45N3 and its molar mass is 327.60 g/mol.

What is Xinjunan used for?

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

Is Xinjunan hazardous?

Xinjunan carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Xinjunan?

Xinjunan is usually classified under HS code 292129 (Acyclic polyamines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xinjunan?

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What is the price of Xinjunan?

Suppliers quote Xinjunan 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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