rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride

Name: rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride
Brand: ChemScene
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CAS No. 873537-33-8
Cat. No. CS-0106652
Molecule weight160.65
Purity≥95%
MDL No.MFCD21643021

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride|CS-0106652

Structure of 873537-33-8

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General Information

CAS No. 873537-33-8
Cat. No. CS-0106652
Purity ≥95%
MDL No. MFCD21643021
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₃ClN₂
Molecular Weight 160.65
Synonym(s) None
SMILES C(#N)[C@@H]1CC[C@@H](N)CC1.Cl

Description

rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride is a bench-stable, moisture-tolerant chiral building block featuring a rigid cyclohexane scaffold with complementary amine and nitrile functionalities. This configuration enables selective coupling in asymmetric synthesis, particularly in the development of bioactive molecules and catalysts requiring defined stereochemistry.

Application

rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride serves as a stereochemically defined building block for medicinal chemistry and asymmetric synthesis. Its rigid cyclohexane scaffold with orthogonally positioned amine and nitrile groups enables diverse functionalization via nucleophilic substitution, reductive amination, or cyclization reactions. The hydrochloride salt enhances bench stability and solubility, facilitating purification and integration into multi-step syntheses of bioactive compounds.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 49.81
LogP 1.44928
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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rel-(1r,4r)-4-Aminocyclohexane-1-carbonitrile hydrochloride

CAS No. 873537-33-8

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