5-Amino-1H-indole-3-carbonitrile

Name: 5-Amino-1H-indole-3-carbonitrile
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CAS No. 159768-57-7
Cat. No. CS-0043930
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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5-Amino-1H-indole-3-carbonitrile|CS-0043930

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General Information

CAS No. 159768-57-7
Cat. No. CS-0043930
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) 5-Aminoindole-3-carbonitrile
SMILES N#CC1=CNC2=C1C=C(N)C=C2

Description

5-Amino-1H-indole-3-carbonitrile features a conjugated indole core bearing an electron-rich amino group at C5 and a strongly electron-withdrawing nitrile at C3, enabling diverse synthetic transformations. This scaffold integrates readily into bioactive heterocycles and serves as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and antitumor agents.

Application

5-Amino-1H-indole-3-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to indole-based scaffolds through standard coupling and cyclization protocols. The molecule exhibits robust bench stability and compatibility with diverse functional groups, facilitating straightforward purification and integration into medicinal chemistry campaigns. Its dual amino and nitrile functionalities support sequential transformations in multi-step syntheses.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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 Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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5-Amino-1H-indole-3-carbonitrile

CAS No. 159768-57-7

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