2-Amino-5-isopropylbenzonitrile

Name: 2-Amino-5-isopropylbenzonitrile
Brand: ChemScene
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CAS No. 549488-76-8
Cat. No. CS-0154286
Purity≥98%
MDL No.MFCD11977495

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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+
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2-Amino-5-isopropylbenzonitrile|CS-0154286

Structure of 549488-76-8

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Description

2-Amino-5-isopropylbenzonitrile features a strategically positioned nitrile group flanked by an amino substituent and a sterically hindered isopropyl moiety, enabling robust integration into heterocyclic scaffolds. This electron-rich aryl building block offers enhanced solubility and stability under standard bench conditions, streamlining synthesis workflows in medicinal chemistry and materials development.

Application

2-Amino-5-isopropylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted benzimidazoles and other heterocyclic scaffolds. Its ortho-amino and nitrile functionalities offer complementary reactivity for cyclization, amidation, and coupling reactions. The isopropyl group provides steric bulk and metabolic stability, enhancing its utility in drug discovery workflows. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and process development.

General Information

CAS No. 549488-76-8
Cat. No. CS-0154286
Purity ≥98%
MDL No. MFCD11977495
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂N₂
Molecular Weight 160.22
Synonym(s) Benzonitrile, 2-amino-5-(1-methylethyl)- (9CI)
SMILES CC(C)C1=CC(=C(C=C1)N)C#N

Computational Chemistry Data

TPSA 49.81
LogP 2.26388
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Amino-5-isopropylbenzonitrile

CAS No. 549488-76-8

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