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

CAS: 31656-62-9 Cat. No.: B471851 Summenformel: C₇H₇¹⁵NO Molekulargewicht: 122.13 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98 atom% 15N,≥98%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98 atom% 15N,≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC=C(C=C1)C(=O)[15NH2]
• Alternative CAS-Nummer: 55-21-0 (Unlabeled)
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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