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Caffeidine - 95%, high purity , CAS No.20041-90-1

1 Citations

COA

Grade & Purity:

≥95%

Cas Number: 20041-90-1
Molecular Weight: 168.2
PubChem CID: 159880
PubChem SID: 488188308

In stock

Item Number

C347202

Grouped product items
SKU	Size	Availability	Price
C347202-100mg	100mg	3	$74.90
C347202-500mg	500mg	5	$285.90
C347202-1g	1g	3	$513.90
C347202-5g	5g	2	$2,308.90

Basic Description

Synonyms	Caffeidine \| EN300-142143 \| VT2A7LG4EQ \| CAFFEINE IMPURITY E [EP IMPURITY] \| CAFFEINE MONOHYDRATE IMPURITY E [EP IMPURITY] \| N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide \| N,1-dimethyl-4-(methylamino)-1H-imidazole-5-carboxamide \| DTXSID80173862 \| 1
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 2-heteroaryl carboxamides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides
Direct Parent	2-heteroaryl carboxamides
Alternative Parents	Secondary alkylarylamines Carbonylimidazoles N-substituted imidazoles Imidolactams Aminoimidazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Secondary aliphatic/aromatic amine - Aminoimidazole - N-substituted imidazole - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
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	488188308
IUPAC Name	N,3-dimethyl-5-(methylamino)imidazole-4-carboxamide
INCHI	InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12)
InChIKey	FNYXJOYPHLKLRW-UHFFFAOYSA-N
Smiles	CNC1=C(N(C=N1)C)C(=O)NC
Isomeric SMILES	CNC1=C(N(C=N1)C)C(=O)NC
Molecular Weight	168.2
Reaxy-Rn	149517
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=149517&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
I2206532	Certificate of Analysis	Jun 16, 2025	C347202
I2206530	Certificate of Analysis	Jun 16, 2025	C347202
I2206529	Certificate of Analysis	Jun 16, 2025	C347202
I2206605	Certificate of Analysis	Jun 09, 2025	C347202
B2519079	Certificate of Analysis	Jun 21, 2022	C347202
L2402577	Certificate of Analysis	Jun 21, 2022	C347202

Chemical and Physical Properties

Molecular Weight	168.200 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.101 Da
Monoisotopic Mass	168.101 Da
Topological Polar Surface Area	59.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173.000
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	1

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