4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride - for fluorescence analysis, ≥95%(HPLC) , CAS No.81864-15-5

CAS: 81864-15-5 Cat. No.: M121480 Molecular Weight: 225.07 Beilstein Registry Number: 5641607 EC Number: 636-009-7 PubChem CID: 12896362

GRADE & PURITY for Fluorescence analysis, ≥95%(HPLC)

Synonyms

1,3-Benzodioxole-5,6-diamine dihydrochloride | 4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride, Fluorogenic reagent | 5,6-Diaminobenzo[1,3]dioxole dihydrochloride | Benzo[1,3]dioxole-5-6-diamine dihydrochloride | DTXSID30512505 | Benzo[d][1,3]diox

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

4,5-Methylenedioxy-1,2-phenylenediamine dihydrochloride is a fluorescence tag for ?-keto acids. It is also required for the derivatization of sialic acids in presence of dilute sulfuric acid. The method allows determination of sialic acids.

Specifications

Synonyms

1, 3-Benzodioxole-5, 6-diamine dihydrochloride | 4, 5-Methylenedioxy-1, 2-phenylenediamine dihydrochloride, Fluorogenic reagent | 5, 6-Diaminobenzo[1, 3]dioxole dihydrochloride | Benzo[1, 3]dioxole-5-6-diamine dihydrochloride | DTXSID30512505 | Benzo[d][1, 3]diox

Specifications & Purity

for fluorescence analysis, ≥95%(HPLC)

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

for Fluorescence analysis

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: C1OC2=C(O1)C=C(C(=C2)N)N.Cl.Cl
• IUPAC Name: 1,3-benzodioxole-5,6-diamine;dihydrochloride
• InChIKey: YXEJRYIEFFUUID-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O2.2ClH/c8-4-1-6-7(2-5(4)9)11-3-10-6;;/h1-2H,3,8-9H2;2*1H
• Isomeric SMILES: C1OC2=C(O1)C=C(C(=C2)N)N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 12896362
• Molecular Weight: 225.07
• Beilstein: 5641607

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Primary aromatic amines Benzenoids Oxacyclic compounds Acetals Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Benzenoid - Primary aromatic amine - Oxacycle - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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，air sensitive
• Molecular Weight: 225.070 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.012 Da
• Monoisotopic Mass: 224.012 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 137.000
• 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: 3

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