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2-benzamidoacetic acid

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Identification
Molecular formula
C9H9NO3
CAS number
658-39-1
IUPAC name
2-benzamidoacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
State
State
2-Benzamidoacetic acid is typically a solid at room temperature.
Melting point (Celsius)
177.00
Melting point (Kelvin)
450.15
Boiling point (Celsius)
295.00
Boiling point (Kelvin)
568.15
General information
Molecular weight
179.18g/mol
Molar mass
179.1760g/mol
Density
1.2120g/cm3
Appearence
2-Benzamidoacetic acid typically appears as a white to off-white crystalline powder.
Comment on solubility

Solubility of 2-benzamidoacetic acid; 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

The solubility of the compound 2-benzamidoacetic acid; 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane can be quite intriguing, as it reflects the interplay of various functional groups and structural characteristics. Key factors influencing its solubility include:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents such as water.
  • Hydrogen Bonding: Amido and carboxylic acid groups may engage in hydrogen bonding, which generally increases solubility.
  • Structural Complexity: The unique structure of the tetrazatricyclo moiety may alter solubility behaviors compared to simpler analogs.

While specific solubility data for this compound might be limited, it is often helpful to consider:

  1. **Testing in various solvents:** Conducting solubility tests in solvents like water, ethanol, and DMSO can offer insight into its solubility profile.
  2. **Temperature effects:** Solubility can vary with temperature; thus, examining the compound at different temperatures may yield valuable information.

In conclusion, the solubility of this compound is likely determined by a delicate balance of its structural elements, intermolecular interactions, and solvent characteristics. Understanding these factors can aid in predicting its behavior in various chemical contexts.

Interesting facts

Interesting Facts about 2-benzamidoacetic Acid; 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

This unique compound, recognized for its striking structure, combines the functionalities of both an amide and a carboxylic acid, making it particularly interesting in the realm of organic chemistry. Here are some fascinating aspects of this compound:

  • Versatile Applications: Due to its dual functional groups, this compound can serve as a ligand in coordination chemistry, contributing to the development of complex materials.
  • Structural Intricacies: The tetrazatricyclo structure presents an elaborate arrangement of atoms, allowing for a range of stereoisomers, which can lead to diverse biological activities.
  • Biological Relevance: Compounds similar to 2-benzamidoacetic acid have been explored for their potential roles in pharmaceuticals, particularly in the design of enzyme inhibitors and other therapeutic agents.
  • Synthesis Challenges: The synthesis of this compound may involve intricate multi-step processes, often requiring careful control of reaction conditions and purification techniques.
  • Chemical Stability: Understanding the stability of such cyclic compounds under various conditions is crucial for their application, especially in drug formulation.

In summary, 2-benzamidoacetic acid; 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane stands out not only for its remarkable molecular structure but also for its potential applications in the field of chemistry and medicine. The exploration of such compounds continues to inspire future research and innovation.

Synonyms
Methenamine hippurate
5714-73-8
hexamine hippurate
Hippramine
Haiprex
Viapta
Hexamethylenetetramine monohippurate
Hexamethylenetetramine hippurate
R-657
EINECS 227-206-5
Hexamethylene tetramine hippurate
UNII-M329791L57
M329791L57
Methenamine hippurate [USAN:USP:INN:BAN]
METHENAMINE HIPPURATE (MART.)
METHENAMINE HIPPURATE [MART.]
METHENAMINE HIPPURATE (USP-RS)
METHENAMINE HIPPURATE [USP-RS]
Methenamine hippurate (USAN:USP:INN:BAN)
METHENAMINE HIPPURATE (USP IMPURITY)
METHENAMINE HIPPURATE [USP IMPURITY]
METHENAMINE HIPPURATE (USP MONOGRAPH)
METHENAMINE HIPPURATE [USP MONOGRAPH]
Glycine, N-benzoyl, compound with 1,3,5,7-tetraazatricyclo(3.3.1.1(sup 3,7))decane(1:1)
227-206-5
Hiprex
1,3,5,7-tetraazaadamantane benzoylglycinate
Methenamine (hippurate)
2-benzamidoacetic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Hexamethylenetetramine monohippurate;Hexamethylenetetramine monohippurate
Methenamine hippurate [USAN]
Hiprex (TN)
MFCD00072147
Urex (TN)
SCHEMBL3029
CHEBI:6825
CHEMBL1201104
HY-B1691R
DTXSID10972603
Methenamine hippurate (JAN/USP)
C15H21N5O3
METHENAMINE HIPPURATE [JAN]
HY-B1691
Methenamine (hippurate) (Standard)
METHENAMINE HIPPURATE [VANDF]
s9466
AKOS037645132
METHENAMINE HIPPURATE [WHO-DD]
FM30937
N-Benzoylglycine, compound with 1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane (1:1)
AS-57463
DA-65366
METHENAMINE HIPPURATE [ORANGE BOOK]
CS-0013675
D00855
D81437
Q27283414
1,3,5,7-TETRAAZATRICYCLO[3.3.1.1(3),?]DECANE; 2-(PHENYLFORMAMIDO)ACETIC ACID
N-[Hydroxy(phenyl)methylidene]glycine--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)