GRADE & PURITY ≥97%

Synonyms

NCIOpen2_002067 | P11575 | 1-Naphthamide, N-methyl- | A875125 | Naphtalene-1-carboxylic acid methylamide | 1-Naphthalenecarboxamide, N-methyl- | BDBM190256 | FT-0747112 | N-Methyl-.alpha.-naphthamide | NSC100670 | NSC-100670 | naphthalene-1-carboxylic aci

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NCIOpen2_002067 | P11575 | 1-Naphthamide, N-methyl- | A875125 | Naphtalene-1-carboxylic acid methylamide | 1-Naphthalenecarboxamide, N-methyl- | BDBM190256 | FT-0747112 | N-Methyl-.alpha.-naphthamide | NSC100670 | NSC-100670 | naphthalene-1-carboxylic aci

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CNC(=O)C1=CC=CC2=CC=CC=C21
• IUPAC Name: N-methylnaphthalene-1-carboxamide
• InChIKey: SDDKAODVKCSVMH-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO/c1-13-12(14)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
• Isomeric SMILES: CNC(=O)C1=CC=CC2=CC=CC=C21
• Molecular Weight: 185.226
• Reaxy-Rn: 2090498
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2090498&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalenecarboxamide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 185.220 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.084 Da
• Monoisotopic Mass: 185.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214.000
• 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