2-Aminomalonamide - ≥95% , CAS No.62009-47-6

CAS: 62009-47-6 Cat. No.: A185601 Molecular Weight: 117.11 EC Number: 263-370-4

GRADE & PURITY ≥95%

Synonyms

2-aminomalonamide | 2-Amino-malonamide | NSC75208 | NSC-75208 | AM20100518 | A833530 | UNII-P2V6JL2SPF | STK695316 | 1285980-02-0 | MFCD00015932 | FT-0658706 | 2-Aminopropanediamide | Z235333079 | BCP32190 | NSC 75208 | EN300-26953 | Aminomalonamide | Pro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-aminomalonamide | 2-Amino-malonamide | NSC75208 | NSC-75208 | AM20100518 | A833530 | UNII-P2V6JL2SPF | STK695316 | 1285980-02-0 | MFCD00015932 | FT-0658706 | 2-Aminopropanediamide | Z235333079 | BCP32190 | NSC 75208 | EN300-26953 | Aminomalonamide | Pro

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186997
• Canonical Smiles: C(C(=O)N)(C(=O)N)N
• IUPAC Name: 2-aminopropanediamide
• InChIKey: GFQBSQXXHYLABK-UHFFFAOYSA-N
• INCHI: 1S/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
• Isomeric SMILES: C(C(=O)N)(C(=O)N)N
• Molecular Weight: 117.11
• Reaxy-Rn: 1761207
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761207&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 acid amides

• 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 acid amides
• Alternative Parents: 1,3-dicarbonyl compounds Primary carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid amide - 1,3-dicarbonyl compound - Carboxamide group - Primary carboxylic acid amide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

• Molecular Weight: 117.110 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 117.054 Da
• Monoisotopic Mass: 117.054 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 108.000
• 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: 1

References

1. Nanzhi Zheng, Yuchen Yang, Wenhao Huang, Jianting Zhang, Guohua Chen.  (2025)  Boric Acid-Catalyzed Synthesis: A scalable strategy for High-Yield and Tunable red fluorescent carbon dots.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40523329] [10.1016/j.saa.2025.126562]