β-Glutamic Acid Hydrochloride - ≥98% , CAS No.336182-10-6

CAS: 336182-10-6 Cat. No.: G404504 Molecular Weight: 183.59

GRADE & PURITY ≥98%

Synonyms

DTXSID20375808 | beta-Glutamic acid hydrochloride, >=98.0% (TLC) | MFCD01862859 | 3-Aminoglutaric acid hydrochloride | L-beta-homoaspartic acid-HCl | H- | ISOGLUTAMIC ACID HYDROCHLORIDE | S-336182-10-6 | A-HoAsp.HCl | h-b-Homoaspartic acid hcl | Boc-beta-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID20375808 | beta-Glutamic acid hydrochloride, >=98.0% (TLC) | MFCD01862859 | 3-Aminoglutaric acid hydrochloride | L-beta-homoaspartic acid-HCl | H- | ISOGLUTAMIC ACID HYDROCHLORIDE | S-336182-10-6 | A-HoAsp.HCl | h-b-Homoaspartic acid hcl | Boc-beta-

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193226
• Canonical Smiles: C(C(CC(=O)O)N)C(=O)O.Cl
• IUPAC Name: 3-aminopentanedioic acid;hydrochloride
• InChIKey: MMFFEGXUHLLGHX-UHFFFAOYSA-N
• INCHI: 1S/C5H9NO4.ClH/c6-3(1-4(7)8)2-5(9)10;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H
• Isomeric SMILES: C(C(CC(=O)O)N)C(=O)O.Cl
• WGK Germany: 3
• Molecular Weight: 183.59
• Reaxy-Rn: 6232397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6232397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Amino fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino fatty acid - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Amine - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amino fatty acids. These are fatty acids containing an amine group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 210 °C(dec.)
• Molecular Weight: 183.590 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 183.03 Da
• Monoisotopic Mass: 183.03 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 129.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Shuaishuai Xing, Xu Tang, Leyan wang, Jun Wang, Bingbing Lv, Xiaolong Wang, Can Guo, Ye Zhao, Feng Feng, Wenyuan Liu, Yao Chen, Haopeng Sun.  (2024)  Optimizing drug-like properties of selective butyrylcholinesterase inhibitors for cognitive improvement: Enhancing aqueous solubility by disrupting molecular plane.  EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:38452730] [10.1016/j.ejmech.2024.116289]