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Impurities and reference standards

Ecane

Also known as Gadoteridol Impurity 5, 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol, N,N',N'',N'''-Tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane

CAS 119167-08-7Formula C20H44N4O4Molar mass 404.60 g/mol
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Ecane chemical structure, C20H44N4O4, CAS 119167-08-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
119167-08-7
Formula
C20H44N4O4
Molar mass
404.60 g/mol
HS code
293399
Category
Impurities and reference standards

What is Ecane?

Plain description, key identifiers and synonyms

Ecane is a chemical substance with the molecular formula C20H44N4O4 and a molar mass of 404.60 g/mol. Its CAS registry number is 119167-08-7. The IUPAC name is 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CAS number
119167-08-7 CAS number cross-checkedOther or deprecated CAS: 148407-91-4
Molecular formula
C20H44N4O4
InChIKey
JHOCPWZBWNMPDD-UHFFFAOYSA-N
InChI
InChI=1S/C20H44N4O4/c1-17(25)13-21-5-7-22(14-18(2)26)9-11-24(16-20(4)28)12-10-23(8-6-21)15-19(3)27/h17-20,25-28H,5-16H2,1-4H3
SMILES (canonical and isomeric)
CC(CN1CCN(CCN(CCN(CC1)CC(C)O)CC(C)O)CC(C)O)O

Synonyms

  • Gadoteridol Impurity 5
  • 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
  • N,N',N'',N'''-Tetrakis(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
  • Thp-12-ane N4
  • N,N',N'',N'''-Tetrakis(2-hydroxypropyl)1,4,7,10-tetraazacyclododecane
  • 1,1',1'',1'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetra(propan-2-ol)
  • 1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetrakis(propan-2-ol)
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraethanol, alpha,alpha',alpha'',alpha'''-tetramethyl-, (alphaR*,alpha'R*,alpha''R*,alpha'''R*)-

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
404.60 g/molcalc.
Exact mass
404.3363 Dacalc.
LogP (octanol/water)
-1.27calc.
Topological polar surface area
93.88 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
28calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1CNCCNCCNCCN1

C1CNCCNCCNCCN1

1 ring, 12 atoms, the 1,4,7,10-Tetraazacyclododecane ring system.

237 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.

Ecane suppliers

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Ecane price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Ecane?

Ecane is a chemical substance with the molecular formula C20H44N4O4 and a molar mass of 404.60 g/mol. Its CAS registry number is 119167-08-7. The IUPAC name is 1-[4,7,10-tris(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol.

What is the CAS number of Ecane?

The CAS registry number of Ecane is 119167-08-7. Other or deprecated CAS numbers: 148407-91-4.

What is the molecular formula and weight of Ecane?

The molecular formula of Ecane is C20H44N4O4 and its molar mass is 404.60 g/mol.

Is Ecane hazardous?

No GHS hazard classification for Ecane 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 Ecane?

Ecane 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 Ecane?

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What is the price of Ecane?

Suppliers quote Ecane 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 Ecane

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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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