Methyl 4-amidinobenzoate monohydrochloride

Name: Methyl 4-amidinobenzoate monohydrochloride
Brand: ChemScene
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CAS No. 42823-73-4
Cat. No. CS-0012438
Purity≥95%
MDL No.MFCD10697977

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Methyl 4-amidinobenzoate monohydrochloride|CS-0012438

Structure of 42823-73-4

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General Information

CAS No. 42823-73-4
Cat. No. CS-0012438
Purity ≥95%
MDL No. MFCD10697977
Storage Store at room temperature, keep dry and cool
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁ClN₂O₂
Molecular Weight 214.65
Synonym(s) Benzoic acid, 4-(aminoiminomethyl)-, methyl ester, monohydrochloride (9CI); Methyl 4-amidinobenzoate hydrochloride; Methyl 4-carbamimidoylbenzoate hydrochloride
SMILES N=C(N)C1=CC=C(C(OC)=O)C=C1.[H]Cl

Description

Methyl 4-amidinobenzoate monohydrochloride features a para-amidino group that enhances solubility and reactivity in polar media. This bench-stable salt form improves handling and stability compared to free base analogs, enabling efficient incorporation into peptide coupling sequences and bioconjugation workflows under standard conditions.

Application

Methyl 4-amidinobenzoate monohydrochloride serves as a versatile building block in medicinal chemistry, enabling efficient access to amidine-containing heterocycles and bioactive scaffolds. Its stability under standard synthetic conditions and compatibility with common coupling reactions facilitate straightforward incorporation into complex molecular architectures. The salt form enhances solubility and handling, supporting reliable performance in peptide coupling and parallel synthesis workflows.

Synthesis

Route1
- In-stock
  
  1129-35-7
- ~51%
- In-stock
  
  42823-73-4
References
- Terpinski, Jacek; Denney, Dorothy Z.; Beveridge, Richard; Cox, Phillip D.; Moss, Robert A. Magnetic Resonance in Chemistry, 1987 , vol. 25, p. 923 - 927

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 76.17
LogP 1.17907
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amidinobenzoate monohydrochloride

CAS No. 42823-73-4

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