1-(4-Aminophenyl)cyclopentanecarbonitrile

Name: 1-(4-Aminophenyl)cyclopentanecarbonitrile
Brand: ChemScene
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CAS No. 115279-73-7
Cat. No. CS-W002697
Purity≥98%
MDL No.MFCD00807534

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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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1-(4-Aminophenyl)cyclopentanecarbonitrile|CS-W002697

Structure of 115279-73-7

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General Information

CAS No. 115279-73-7
Cat. No. CS-W002697
Purity ≥98%
MDL No. MFCD00807534
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₄N₂
Molecular Weight 186.25
Synonym(s) 1-(4-aminophenyl)cyclopentane-1-carbonitrile
SMILES N#CC1(C2=CC=C(N)C=C2)CCCC1

Description

1-(4-Aminophenyl)cyclopentanecarbonitrile features a rigid cyclopentane scaffold linked to an electron-rich aniline moiety and a nitrile group, enabling integration into bioactive scaffolds. This structure supports hydrogen bonding and dipole interactions, enhancing target affinity in medicinal chemistry applications.

Application

1-(4-Aminophenyl)cyclopentanecarbonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of biologically relevant scaffolds through standard coupling reactions. The aniline functionality facilitates derivatization via amide bond formation or electrophilic substitution, while the nitrile group offers utility in nucleophilic additions and ring-forming transformations. Bench-stable and readily purified by crystallization, it supports scalable synthesis workflows in API development.

Synthesis

Route1
- 555-21-5
- ~%
- In-stock
  
  115279-73-7
References
- Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1652 - 1659
Route2
- In-stock
  
  91392-33-5
- ~%
- In-stock
  
  115279-73-7
References
- Journal of Medicinal Chemistry, , vol. 37, # 11 p. 1652 - 1659

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

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 2.60418
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(4-Aminophenyl)cyclopentanecarbonitrile

CAS No. 115279-73-7

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