7-(p-Methoxybenzylamino)-4-nitrobenz-2-oxa-1,3-diazole , CAS No.33984-50-8

CAS: 33984-50-8 Cat. No.: P331881 Peso molecular: 300.27 Beilstein Registry Number: 1151390 Número EC: 251-775-9 PubChem CID: 99555

Synonyms

DTXSID9067805 | 7E78Z5W2PR | 4-Benzofurazanamine, N-((4-methoxyphenyl)methyl)-7-nitro- | Oprea1_067217 | 4-(4-Methoxybenzylamino)-7-nitrobenzofurazan | 4-Benzofurazanamine, N-[(4-methoxyphenyl)methyl]-7-nitro- | 4-(1-Phenylbenzimidazol-2-yl)phenylboronic

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

7-(p-Methoxybenzylamino)-4-nitrobenz-2-oxa-1,3-diazole is a fluorescent probe for hydrophobic regions of proteins.

Specifications

Sinónimos

DTXSID9067805 | 7E78Z5W2PR | 4-Benzofurazanamine, N-((4-methoxyphenyl)methyl)-7-nitro- | Oprea1_067217 | 4-(4-Methoxybenzylamino)-7-nitrobenzofurazan | 4-Benzofurazanamine, N-[(4-methoxyphenyl)methyl]-7-nitro- | 4-(1-Phenylbenzimidazol-2-yl)phenylboronic

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-nitro-2,1,3-benzoxadiazol-7-amine
• InChIKey: IENONFJSMWUIQQ-UHFFFAOYSA-N
• INCHI: 1S/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)CNC2=CC=C(C3=NON=C23)[N+](=O)[O-]
• WGK Alemania: 3
• PubChem CID: 99555
• Peso molecular: 300.27
• Beilstein: 1151390

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxadiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxadiazoles
• Alternative Parents: Anisoles Benzylamines Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Secondary alkylarylamines Heteroaromatic compounds Furazans Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxadiazole - Phenoxy compound - Nitroaromatic compound - Anisole - Phenylmethylamine - Benzylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Oxadiazole - Furazan - Organic nitro compound - C-nitro compound - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly).
• Índice de refracción: n20D1.69 (Predicted)
• Punto de ebullición (°C): 500.83° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 174-177° C
• Peso molecular: 300.270 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 300.086 Da
• Monoisotopic Mass: 300.086 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 384.000
• 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