5-Cyano-4-aminoimidazole

Name: 5-Cyano-4-aminoimidazole
Brand: ChemScene
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CAS No. 5098-11-3
Cat. No. CS-W008640
Purity≥97%
MDL No.MFCD00129663

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 5098-11-3

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Description

5-Cyano-4-aminoimidazole integrates a cyano group and an amino functionality within an imidazole scaffold, enabling versatile conjugation and metal coordination. This bench-stable heterocycle serves as a key intermediate in the synthesis of bioactive molecules and functional materials, offering enhanced solubility and reactivity under standard conditions.

Application

5-Cyano-4-aminoimidazole serves as a versatile building block in heterocyclic synthesis, enabling efficient access to purine and imidazopyrimidine scaffolds. Its dual functional groups—cyano and amino—offer orthogonal reactivity for selective derivatization, while the molecule exhibits excellent bench stability and ease of purification. Functions as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and nucleoside analogs.

General Information

CAS No. 5098-11-3
Cat. No. CS-W008640
Purity ≥97%
MDL No. MFCD00129663
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₄N₄
Molecular Weight 108.10
Synonym(s) 4-Aminoimidazole-5-carbonitrile; 5-Amino-4-cyanoimidazole; 5-Amino-4-imidazolecarbonitrile; 5-Amino-1H-imidazole-4-carbonitrile
SMILES N#CC1=C(N)NC=N1

Computational Chemistry Data

TPSA 78.49
LogP -0.13642
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 3335
Class : 9	Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Imidazole compounds

Key Words

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5-Cyano-4-aminoimidazole

CAS No. 5098-11-3

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