12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid , CAS No.96801-39-7

CAS: 96801-39-7 Cat. No.: N1454181 Molecular Weight: 378.423 Beilstein Registry Number: 7392043 PubChem CID: 2762668

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Overview

12-(7-Nitrobenzofurazan-4-ylamino)dodecanoic acid is an amine-reactive fluorescent dye.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCC(=O)O
• IUPAC Name: 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
• InChIKey: YPOHVKMXKUSZRL-UHFFFAOYSA-N
• INCHI: 1S/C18H26N4O5/c23-16(24)10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15(22(25)26)18-17(14)20-27-21-18/h11-12,19H,1-10,13H2,(H,23,24)
• Isomeric SMILES: C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NCCCCCCCCCCCC(=O)O
• PubChem CID: 2762668
• Molecular Weight: 378.423
• Beilstein: 7392043

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Nitro fatty acids Nitroaromatic compounds Medium-chain fatty acids Secondary alkylarylamines Amino fatty acids Heterocyclic fatty acids Benzenoids Furazans Heteroaromatic compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Nitro fatty acid - Nitroaromatic compound - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty acid - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom).
• 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