Glycine p-nitroanilide - ≥98% , CAS No.1205-88-5

CAS: 1205-88-5 Cat. No.: G351753 Molecular Weight: 195.18 EC Number: 176-815-1

GRADE & PURITY ≥98%

Synonyms

MFCD00038175 | H-Gly-pNA*HCl | J-004367 | 2-amino-N-(4-nitrophenyl)acetamide | ACETAMIDE,2-AMINO-N-(4-NITROPHENYL)- | H-Gly-pNA | SCHEMBL3677488 | FT-0693005 | STK377845 | Acetamide, 2-amino-N-(4-nitrophenyl)- | AKOS005449218 | N-(2-Hydroxyethyl)piperazin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD00038175 | H-Gly-pNA*HCl | J-004367 | 2-amino-N-(4-nitrophenyl)acetamide | ACETAMIDE, 2-AMINO-N-(4-NITROPHENYL)- | H-Gly-pNA | SCHEMBL3677488 | FT-0693005 | STK377845 | Acetamide, 2-amino-N-(4-nitrophenyl)- | AKOS005449218 | N-(2-Hydroxyethyl)piperazin

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194539
• Canonical Smiles: C1=CC(=CC=C1NC(=O)CN)[N+](=O)[O-]
• IUPAC Name: 2-amino-N-(4-nitrophenyl)acetamide
• InChIKey: VZZMNSJSZXVCCW-UHFFFAOYSA-N
• INCHI: 1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)CN)[N+](=O)[O-]
• Molecular Weight: 195.18
• Reaxy-Rn: 2417557
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2417557&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: Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Amine - Organic zwitterion - Organic oxygen compound - Aromatic homomonocyclic 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

• Solubility: Soluble in 50 mg/mL of Acetone
• Molecular Weight: 195.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.064 Da
• Monoisotopic Mass: 195.064 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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