Oxazine 170 perchlorate - ≥95% , CAS No.62669-60-7

CAS: 62669-60-7 Cat. No.: O478395 Molecular Weight: 431.87 Beilstein Registry Number: 5371613 EC Number: 263-682-0 PubChem CID: 93338

GRADE & PURITY ≥95%

Synonyms

SCHEMBL10763957 | SCHEMBL610607 | ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium;perchlorate | Benzo(a)phenoxazin-7-ium, 5,9-bis(ethylamino)-10-methyl-, perchlorate (1:1) | oxazine-170 perchlorate | Benzo[a]phenoxazin-7-ium, 5,9-bis(e

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Oxazine 170 perchlorate (O17) is an organic dye with high fluorescence efficiency. It is used as a laser dye with an absorption band at 621 nm.O17 can be used as a dopant with poly(methyl methacrylate) (PMMA) which can be applied in fabrication of polymeric optical fibers. It forms a composite membrane with ethyl cellulose which can be used in the development of sensing membranes for urea.

Specifications

Synonyms

SCHEMBL10763957 | SCHEMBL610607 | ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium;perchlorate | Benzo(a)phenoxazin-7-ium, 5, 9-bis(ethylamino)-10-methyl-, perchlorate (1:1) | oxazine-170 perchlorate | Benzo[a]phenoxazin-7-ium, 5, 9-bis(e

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488186772
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186772
• Canonical Smiles: CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=[NH+]CC)C=C4O2)C.[O-]Cl(=O)(=O)=O
• IUPAC Name: ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium;perchlorate
• InChIKey: CBXAZZAYBZVPEZ-UHFFFAOYSA-N
• INCHI: 1S/C21H21N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,23H,4-5H2,1-3H3;(H,2,3,4,5)
• Isomeric SMILES: CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=[NH+]CC)C=C4O2)C.[O-]Cl(=O)(=O)=O
• PubChem CID: 93338
• Molecular Weight: 431.87
• Beilstein: 5371613

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxazines
• Alternative Parents: Naphthalenes Secondary alkylarylamines Organic perchlorates Secondary ketimines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenoxazine - Naphthalene - Secondary aliphatic/aromatic amine - Benzenoid - Organic perchlorate - Heteroaromatic compound - Secondary ketimine - Organic chlorate - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 260℃ (dec.) (lit.)
• Molecular Weight: 431.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 431.125 Da
• Monoisotopic Mass: 431.125 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 741.000
• 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: 2

XLogP3