Benzamide-¹⁵N - ≥98 atom% 15N,≥98% , CAS No.31656-62-9

CAS: 31656-62-9 Cat. No.: B471851 Formule: C₇H₇¹⁵NO Poids moléculaire: 122.13 Numéro CE: 689-484-8

GRADE & PURITY ≥98 atom% 15N,≥98%

Synonyms

Benzamide-15N, 98 atom % 15N | J-018506 | DTXSID40479998 | SCHEMBL1332331 | HY-Z0283S | AKOS015889516 | MS-22759 | (15N)Benzamide | Benzamide-15N | starbld0016541

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Benzamide-15N, 98 atom % 15N | J-018506 | DTXSID40479998 | SCHEMBL1332331 | HY-Z0283S | AKOS015889516 | MS-22759 | (15N)Benzamide | Benzamide-15N | starbld0016541

Spécifications et pureté

≥98 atom% 15N,≥98%

Conditions de stockage de stockage

Protected from light,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.

Type d'action

INHIBITOR

Pureté

≥98 atom% 15N,≥98%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

(15N)benzamide

InChIKey

KXDAEFPNCMNJSK-VJJZLTLGSA-N

INCHI

1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i8+1

Isomères SMILES

C1=CC=C(C=C1)C(=O)[15NH2]

CAS alternatif

55-21-0 (Unlabeled)

Poids moléculaire

122.13

Reaxy-Rn

385876

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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: 122.130 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.05 Da
• Monoisotopic Mass: 122.05 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 1
• 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