4-Methoxy-5-(3-Morpholinopropoxy)-2-nitrobenzaMide - ≥95% , CAS No.861453-16-9

CAS: 861453-16-9 Cat. No.: M1007801 Summenformel: C₁₅H₂₁N₃O₆ Molekulargewicht: 339.34 PubChem CID: 11537393

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)OCCCN2CCOCC2

IUPAC Name

4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrobenzamide

InChIKey

CZNVOBRARXZUEA-UHFFFAOYSA-N

INCHI

1S/C15H21N3O6/c1-22-13-10-12(18(20)21)11(15(16)19)9-14(13)24-6-2-3-17-4-7-23-8-5-17/h9-10H,2-8H2,1H3,(H2,16,19)

Isomere SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)OCCCN2CCOCC2

PubChem CID

11537393

Molekulargewicht

339.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Benzamides Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Morpholines Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Organic oxoazanium compounds Dialkyl ethers Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrophenyl ether - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Morpholine - Oxazinane - Amino acid or derivatives - Carboxamide group - C-nitro compound - Organic nitro compound - Primary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Ether - Dialkyl ether - Organic salt - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the 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: 339.340 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 339.143 Da
• Monoisotopic Mass: 339.143 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 424.000
• 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