N-(2-morpholin-4-ylethyl)-2-nitrobenzamide , CAS No.120276-16-6

CAS: 120276-16-6 Cat. No.: N1340867 PubChem CID: 743298

Storage

Room temperature

Shipped In

Normal

Specifications

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

C1COCCN1CCNC(=O)C2=CC=CC=C2[N+](=O)[O-]

IUPAC Name

N-(2-morpholin-4-ylethyl)-2-nitrobenzamide

InChIKey

SZHWVQCYJDQNFP-UHFFFAOYSA-N

INCHI

1S/C13H17N3O4/c17-13(11-3-1-2-4-12(11)16(18)19)14-5-6-15-7-9-20-10-8-15/h1-4H,5-10H2,(H,14,17)

Isomères SMILES

C1COCCN1CCNC(=O)C2=CC=CC=C2[N+](=O)[O-]

PubChem CID

743298

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Benzamides Benzoyl derivatives Nitroaromatic compounds Morpholines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Morpholine - Oxazinane - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Dialkyl ether - Ether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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: 279.290 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 279.122 Da
• Monoisotopic Mass: 279.122 Da
• Topological Polar Surface Area: 87.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 339.000
• 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

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 120276-16-6. InChIKey SZHWVQCYJDQNFP-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.