(4-Ethynylphenyl)methanamine

Name: (4-Ethynylphenyl)methanamine
Brand: ChemScene
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CAS No. 197844-23-8
Cat. No. CS-W021102
Purity≥95%
MDL No.MFCD10698133

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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 197844-23-8

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General Information

CAS No. 197844-23-8
Cat. No. CS-W021102
Purity ≥95%
MDL No. MFCD10698133
Storage -20°C, stored under nitrogen, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉N
Molecular Weight 131.17
Synonym(s) Benzenemethanamine, 4-ethynyl- (9CI)
SMILES NCC1=CC=C(C#C)C=C1

Description

(4-Ethynylphenyl)methanamine features a terminal alkyne group conjugated to an aromatic ring and a primary amine, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC). This bifunctional scaffold integrates seamlessly into bioconjugation workflows, offering high selectivity and robust labeling under mild conditions.

Application

(4-Ethynylphenyl)methanamine serves as a versatile building block for constructing functionalized aromatic scaffolds, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) to access triazole-linked architectures. The terminal alkyne group exhibits excellent stability under standard bench conditions and tolerates a broad range of functional groups, facilitating straightforward purification and integration into complex molecular frameworks. Its reactivity profile supports scalable synthesis in medicinal chemistry and materials science applications.

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 26.02
LogP 1.1266
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

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(4-Ethynylphenyl)methanamine

CAS No. 197844-23-8

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