2-anilinoacetamide - ≥95% , CAS No.21969-70-0

CAS: 21969-70-0 Cat. No.: A357212 Formule: C₈H₁₀N₂O Poids moléculaire: 150.18 Numéro CE: 887-315-4

GRADE & PURITY ≥95%

Synonyms

DTXSID30572083 | J-014382 | AKOS000253408 | MFCD08691108 | VSQ | 2-(Phenylamino)acetamide | DISCONTINUED. Please see I902215 | 2-anilinoacetamide | GXBRYTMUEZNYJT-UHFFFAOYSA-N | BB 0237830 | EN300-24424 | Z104583968 | Isosteviol Acyl-?-D-glucuronide | FT-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

2-Anilinoacetamide is used as an initial substrate for the enzymic synthesis of Cephalexin with liquid penicillin G acylase.

Specifications

Synonymes

DTXSID30572083 | J-014382 | AKOS000253408 | MFCD08691108 | VSQ | 2-(Phenylamino)acetamide | DISCONTINUED. Please see I902215 | 2-anilinoacetamide | GXBRYTMUEZNYJT-UHFFFAOYSA-N | BB 0237830 | EN300-24424 | Z104583968 | Isosteviol Acyl-?-D-glucuronide | FT-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504767838

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767838

Sourires canoniques

C1=CC=C(C=C1)NCC(=O)N

IUPAC Name

2-anilinoacetamide

InChIKey

GXBRYTMUEZNYJT-UHFFFAOYSA-N

INCHI

1S/C8H10N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,10H,6H2,(H2,9,11)

Isomères SMILES

C1=CC=C(C=C1)NCC(=O)N

Poids moléculaire

150.18

Reaxy-Rn

2086741

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086741&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 Alpha amino acid amides

• 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
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Primary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.62 (Predicted)
• Point d'éclair (°C): 187.102°C
• Point d'ébullition (°C): 385.76° C at 760 mmHg (Predicted)
• Point de fusion (°C): 114.75° C (Predicted)
• Poids moléculaire: 150.180 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21969-70-0, the molecular formula is C8H10N2O, and the molecular weight is 150.18 g/mol. InChIKey GXBRYTMUEZNYJT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.