(S)-4-(1-Aminoethyl)benzonitrilehydrochloride

Name: (S)-4-(1-Aminoethyl)benzonitrilehydrochloride
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CAS No. 911372-80-0
Cat. No. CS-0170834
Molecule weight182.65
Purity≥97%
MDL No.None

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(S)-4-(1-Aminoethyl)benzonitrilehydrochloride|CS-0170834

Structure of 911372-80-0

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General Information

CAS No. 911372-80-0
Cat. No. CS-0170834
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁ClN₂
Molecular Weight 182.65
Synonym(s) (S)-4-(1-Aminoethyl)benzonitrile hydrochloride
SMILES C[C@@H](C1=CC=C(C=C1)C#N)N.Cl

Description

(S)-4-(1-Aminoethyl)benzonitrile hydrochloride is a chiral building block featuring a stereodefined aminoethyl side chain and a para-cyano group. This configuration enhances its utility in asymmetric synthesis, particularly for pharmaceutical intermediates requiring high enantiomeric purity. The hydrochloride salt form ensures improved solubility and stability under standard handling conditions.

Application

(S)-4-(1-Aminoethyl)benzonitrile hydrochloride serves as a key chiral building block for synthesizing bioactive molecules, particularly in medicinal chemistry. Its structure features a benzonitrile group and a stereogenic center with a primary amine functionality, enabling diverse transformations including amidation, alkylation, and cyclization reactions. The hydrochloride salt enhances bench stability and solubility, facilitating handling and purification in standard synthetic workflows.

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 49.81
LogP 1.99978
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

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(S)-4-(1-Aminoethyl)benzonitrilehydrochloride

CAS No. 911372-80-0

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