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Amines and amides

Orb1785993

CAS 913238-93-4Formula C54H112Cl2N6O3Molar mass 964.44 g/mol
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Orb1785993 chemical structure, C54H112Cl2N6O3, CAS 913238-93-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
913238-93-4
Formula
C54H112Cl2N6O3
Molar mass
964.44 g/mol
HS code
292419
Category
Amines and amides

What is Orb1785993?

Plain description, key identifiers and synonyms

Orb1785993 is a chemical substance with the molecular formula C54H112Cl2N6O3 and a molar mass of 964.44 g/mol. Its CAS registry number is 913238-93-4. The IUPAC name is 2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[(Z)-octadec-9-enoxy]propyl]-dimethylazanium, chloride, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[(Z)-octadec-9-enoxy]propyl]-dimethylazanium, chloride, hydrochloride
CAS number
913238-93-4
Molecular formula
C54H112Cl2N6O3
InChIKey
YWYICYYTCCEENU-ZEUFFFBISA-N
InChI
InChI=1S/C54H110N6O3.2ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-62-51-52(63-49-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)50-60(3,4)47-46-59-54(61)53(58-45-39-42-56)40-37-43-57-44-38-41-55;;/h19-22,52-53,57-58H,5-18,23-51,55-56H2,1-4H3;2*1H/b21-19-,22-20-;;
Canonical SMILES
CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OCCCCCCCCC=CCCCCCCCC.Cl.[Cl-]
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC.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
964.44 g/molcalc.
Exact mass
962.8173 Dacalc.
LogP (octanol/water)
9.11calc.
Topological polar surface area
123.7 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
52calc.
Heavy atoms
65calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
3calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

Orb1785993 suppliers

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Orb1785993 price

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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 Orb1785993 is traded under.

HS 2924.19Indicative HS code

Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$2.38B
−1.7% vs 2023, imports $2.22B
2019 to 2024
Top exporters
  1. China34.7%
  2. Germany12.5%
  3. India * partner reported6.8%
Top importers
  1. United States17.5%
  2. Germany8.8%
  3. India * partner reported6.7%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1785993 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1785993, based on the data on this page

What is Orb1785993?

Orb1785993 is a chemical substance with the molecular formula C54H112Cl2N6O3 and a molar mass of 964.44 g/mol. Its CAS registry number is 913238-93-4. The IUPAC name is 2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[(Z)-octadec-9-enoxy]propyl]-dimethylazanium, chloride, hydrochloride.

What is the CAS number of Orb1785993?

The CAS registry number of Orb1785993 is 913238-93-4.

What is the molecular formula and weight of Orb1785993?

The molecular formula of Orb1785993 is C54H112Cl2N6O3 and its molar mass is 964.44 g/mol.

Is Orb1785993 hazardous?

No GHS hazard classification for Orb1785993 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 Orb1785993?

Orb1785993 is usually classified under HS code 292419 (Acyclic amides (including acyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1785993?

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What is the price of Orb1785993?

Suppliers quote Orb1785993 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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