6-Amino-1H-indole-4-carbonitrile

Name: 6-Amino-1H-indole-4-carbonitrile
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CAS No. 885518-24-1
Cat. No. CS-0131080
Molecule weight157.17
Purity≥97%
MDL No.None

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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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6-Amino-1H-indole-4-carbonitrile|CS-0131080

Structure of 885518-24-1

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General Information

CAS No. 885518-24-1
Cat. No. CS-0131080
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇N₃
Molecular Weight 157.17
Synonym(s) 1H-Indole-4-carbonitrile,6-amino-(9CI)
SMILES N#CC1=CC(N)=CC2=C1C=CN2

Description

6-Amino-1H-indole-4-carbonitrile features a conjugated indole core with strategically positioned amino and nitrile groups, enabling integration into diverse heterocyclic architectures. The electron-rich amine facilitates nucleophilic coupling, while the carbonitrile serves as a handle for derivatization. This scaffold exhibits enhanced solubility in polar solvents and stability under standard bench conditions, supporting efficient use in medicinal chemistry and materials synthesis workflows.

Application

6-Amino-1H-indole-4-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted indole scaffolds via palladium-catalyzed cross-coupling and electrophilic functionalization. The amino and nitrile groups offer orthogonal reactivity for late-stage derivatization, while the molecule exhibits excellent bench stability and compatibility with standard purification methods.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 65.6
LogP 1.62178
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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6-Amino-1H-indole-4-carbonitrile

CAS No. 885518-24-1

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