3,8-Diamino-6-phenylphenanthridine - ≥97% , CAS No.52009-64-0

CAS: 52009-64-0 Cat. No.: D472487 Molecular Weight: 285.35 EC Number: 257-602-3

GRADE & PURITY ≥97%

Synonyms

3,8-Diamino-6-phenylphenanthridine, 98% | EINECS 257-602-3 | SY130832 | 6-Phenylphenathridine-3,8-diamine | DTXSID00966339 | 3,8-Diamino-6-phenylphenthridine | HMS1539N07 | BCP34099 | 6-phenylphenanthridine-3,8-diamine | AS-62032 | Oprea1_234444 | 6-Pheny

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Used in the synthesis of rigid polyamides. It has been investigated for its anti-tumor and anti-viral properties. Small organic molecules, such as 3,8-Diamino-6-phenylphenanthridine, can bind to DNA by means of a non-specific binding along the DNA exterior.

Specifications

Synonyms

3, 8-Diamino-6-phenylphenanthridine, 98% | EINECS 257-602-3 | SY130832 | 6-Phenylphenathridine-3, 8-diamine | DTXSID00966339 | 3, 8-Diamino-6-phenylphenthridine | HMS1539N07 | BCP34099 | 6-phenylphenanthridine-3, 8-diamine | AS-62032 | Oprea1_234444 | 6-Pheny

Specifications & Purity

≥97%

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.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488187339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187339
• Canonical Smiles: C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)N)N
• IUPAC Name: 6-phenylphenanthridine-3,8-diamine
• InChIKey: CPNAVTYCORRLMH-UHFFFAOYSA-N
• INCHI: 1S/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2
• Isomeric SMILES: C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=N2)N)N
• Molecular Weight: 285.35
• Reaxy-Rn: 245323
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=245323&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenanthridines and derivatives Phenylpyridines Aminoquinolines and derivatives Isoquinolines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Phenanthridine - Benzoquinoline - 2-phenylpyridine - Aminoquinoline - Isoquinoline - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

• Solubility: Soluble in chloroform, dichloromethane and methanol.
• Melt Point(°C): 196-198°C
• Molecular Weight: 285.300 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 285.127 Da
• Monoisotopic Mass: 285.127 Da
• Topological Polar Surface Area: 64.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 379.000
• 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