Hydantoic Acid - ≥98%(T) , CAS No.462-60-2

CAS: 462-60-2 Cat. No.: H157226 Formule: C₃H₆N₂O₃ Poids moléculaire: 118.09 Numéro CE: 207-328-5

QUALITÉ & PURETÉ ≥98%(T)

Synonyms

Glycine, N-(aminocarbonyl)-|N-Carbamylglycine|Carbamoylglycine|Carbomoylglycine|Urea, (carboxymethyl)-|Glycine, N-carbamoyl-|N-carbamyl glycine|2-(carbamoylamino)acetic acid|Glycoluric acid|Acetic acid, [(aminocarbonyl)amino]-|Acetic acid, ((aminocarbonyl)amino)-|Hydantoic acid|HydantoinsA currencyure|N-Carboxymethylurea|ureidoacetic acid|N-(CARBOXYMETHYL)UREA|N-Carbamoylglycine|[(aminocarbonyl)amino]acetic acid|Acetic acid, ureido-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Glycine, N-(aminocarbonyl)- | N-Carbamylglycine | Carbamoylglycine | Carbomoylglycine | Urea, (carboxymethyl)- | Glycine, N-carbamoyl- | N-carbamyl glycine | 2-(carbamoylamino)acetic acid | Glycoluric acid | Acetic acid, [(aminocarbonyl)amino]- | Acetic acid, ((aminocarbonyl)amino)- | Hydantoic acid | HydantoinsA currencyure | N-Carboxyme Afficher plus

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(T)

Noms et identifiants

Pubchem Sid

504751897

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751897

Sourires canoniques

C(C(=O)O)NC(=O)N

IUPAC Name

2-(carbamoylamino)acetic acid

InChIKey

KZVRXPPUJQRGFN-UHFFFAOYSA-N

INCHI

1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)

Isomères SMILES

C(C(=O)O)NC(=O)N

RTECS

MB7660000

Poids moléculaire

118.09

Reaxy-Rn

1812022

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-carbamoyl-alpha amino acids and derivatives
              • Level8 N-carbamoyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-carbamoyl-alpha amino acids and derivatives
• Direct Parent: N-carbamoyl-alpha amino acids
• Alternative Parents: Ureas Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-carbamoyl-alpha-amino acid - Urea - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 118.090 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 118.038 Da
• Monoisotopic Mass: 118.038 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 111.000
• 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