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1-Butyl-3-methylimidazolium dicyanamide - 97%, high purity , CAS No.448245-52-1

COA

Grade & Purity:

≥97%

Cas Number: 448245-52-1
Molecular Weight: 205.26
MDL number: MFCD07784457
PubChem CID: 11171745
PubChem SID: 504766116

In stock

Item Number

B102303

Grouped product items
SKU	Size	Availability	Price
B102303-1g	1g	5	$20.90
B102303-5g	5g	5	$80.90
B102303-25g	25g	3	$335.90
B102303-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$269.90

View related series

Five-Membered Heterocyclic Compounds (2064) Imidazolium salt (90)

Basic Description

Synonyms	SCHEMBL1956577 \| A912496 \| [bmim][dca] \| MFCD07784457 \| Q-102661 \| CAS-448245-52-1 \| 1-Butyl-3-methylimidazolium dicyanamide \| SY039367 \| AC7816 \| 1-Butyl-3-methyl-3-imidazolium Di(cyano)amide \| DTXCID2027886 \| 1-Butyl-3-methylimidazoliumdicyanamide
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504766116
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766116
IUPAC Name	1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
INCHI	InChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChIKey	ICIVTHOGIQHZRY-UHFFFAOYSA-N
Smiles	CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N
Isomeric SMILES	CCCCN1C=C[N+](=C1)C.C(=[N-])=NC#N
WGK Germany	3
Molecular Weight	205.26
Reaxy-Rn	9732930
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9732930&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H2114045	Certificate of Analysis	May 12, 2025	B102303
E2514153	Certificate of Analysis	Apr 15, 2025	B102303
E2514154	Certificate of Analysis	Apr 15, 2025	B102303
E2514155	Certificate of Analysis	Apr 15, 2025	B102303
E2514156	Certificate of Analysis	Apr 15, 2025	B102303
E2324051	Certificate of Analysis	Mar 26, 2022	B102303
G2219028	Certificate of Analysis	Mar 26, 2022	B102303
G2219029	Certificate of Analysis	Mar 26, 2022	B102303
E2324050	Certificate of Analysis	Mar 26, 2022	B102303
I2213237	Certificate of Analysis	Mar 26, 2022	B102303

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.51
Melt Point(°C)	-6°C(lit.)
Molecular Weight	205.260 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	205.133 Da
Monoisotopic Mass	205.133 Da
Topological Polar Surface Area	46.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	179.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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