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Organometallic compounds

Dicyanocobinamide

Formula C50H72CoN13O8-3Molar mass 1,042.14 g/molEC 687-104-5
GHS signal word: Warning. Pictograms: Harmful or irritant, Serious health hazard
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Dicyanocobinamide chemical structure, C50H72CoN13O8-3
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C50H72CoN13O8-3
Molar mass
1,042.14 g/mol
EC number
687-104-5
HS code
293399
Category
Organometallic compounds

What is Dicyanocobinamide?

Plain description, key identifiers and synonyms

Dicyanocobinamide is a chemical substance with the molecular formula C50H72CoN13O8-3 and a molar mass of 1,042.14 g/mol. The IUPAC name is cobalt, 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, dicyanide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
cobalt, 3-[2,7,18-tris(2-amino-2-oxoethyl)-3,13-bis(3-amino-3-oxopropyl)-17-[3-(2-hydroxypropylamino)-3-oxopropyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanamide, dicyanide
EC number
687-104-5
Molecular formula
C50H72CoN13O8-3
InChIKey
NWXVHVXSDZHCFS-UHFFFAOYSA-M
InChI
InChI=1S/C48H73N11O8.2CN.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;2*1-2;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);;;/q;2*-1;/p-1
SMILES (canonical and isomeric)
CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)O.[C-]#N.[C-]#N.[Co]

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
1,042.14 g/molcalc.
Exact mass
1,041.4975 Dacalc.
LogP (octanol/water)
2.71calc.
Topological polar surface area
406.6 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
20calc.
Heavy atoms
72calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
-3calc.
Stereocentres
10calc.
Components
4calc.
Lipinski rule of five
Fails (3 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=C2CCC(=N2)C=C2CCC(N2)C2CCC(=N2)C=C2CCC1=N2

C1=C2CCC(=N2)C=C2CCC(N2)C2CCC(=N2)C=C2CCC1=N2

5 rings, 23 atoms.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H371May cause damage to organs.
Precautionary statements (8)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P308 + P316If exposed or concerned: Get emergency medical help immediately.
  • P330Rinse mouth.
  • P405Store locked up.
  • 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

Dicyanocobinamide suppliers

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

Frequently asked questions

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

What is Dicyanocobinamide?

Dicyanocobinamide is a chemical substance with the molecular formula C50H72CoN13O8-3 and a molar mass of 1,042.14 g/mol.

What is the molecular formula and weight of Dicyanocobinamide?

The molecular formula of Dicyanocobinamide is C50H72CoN13O8-3 and its molar mass is 1,042.14 g/mol.

Is Dicyanocobinamide hazardous?

Dicyanocobinamide carries the GHS signal word "Warning". Main hazards: harmful if swallowed, may cause damage to organs. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dicyanocobinamide?

Dicyanocobinamide 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 Dicyanocobinamide?

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What is the price of Dicyanocobinamide?

Suppliers quote Dicyanocobinamide 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 Dicyanocobinamide

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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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