DL-2,3-Diaminopropionic acid hydrochloride - ≥99% , CAS No.54897-59-5

CAS: 54897-59-5 Cat. No.: D102445 Molecular Weight: 140.57 Beilstein Registry Number: 5293359 EC Number: 259-387-1

GRADE & PURITY ≥99%

Synonyms

A808751 | J-640388 | 2,3-bis(azanyl)propanoic acid hydrochloride | J-640333 | DL-2,3-Diaminopropionic acid monohydrochloride | EINECS 259-387-1 | .ALPHA.,.BETA.-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE | 3-Aminoalanine--hydrogen chloride (1/1) | FT-0649855

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A808751 | J-640388 | 2, 3-bis(azanyl)propanoic acid hydrochloride | J-640333 | DL-2, 3-Diaminopropionic acid monohydrochloride | EINECS 259-387-1 | .ALPHA., .BETA.-DIAMINOPROPIONIC ACID MONOHYDROCHLORIDE | 3-Aminoalanine--hydrogen chloride (1/1) | FT-0649855

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488187425
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187425
• Canonical Smiles: C(C(C(=O)O)N)N.Cl
• IUPAC Name: 2,3-diaminopropanoic acid;hydrochloride
• InChIKey: SKWCZPYWFRTSDD-UHFFFAOYSA-N
• INCHI: 1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H
• Isomeric SMILES: C(C(C(=O)O)N)N.Cl
• WGK Germany: 3
• Molecular Weight: 140.57
• Beilstein: 5293359
• Reaxy-Rn: 5293359
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5293359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 231-233°C
• Molecular Weight: 140.570 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.035 Da
• Monoisotopic Mass: 140.035 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 73.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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