5,5′-Dimethyldipyrromethane - ≥98% , CAS No.99840-54-7

CAS: 99840-54-7 Cat. No.: D346739 Formule: C₁₁H₁₄N₂ Poids moléculaire: 174.24

QUALITÉ & PURETÉ ≥98%

Synonyms

DTXSID70462934 | KSC-7-175 | 2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole | 5,5'-DIMETHYLDIPYRROMETHANE | KUC105365N | AKOS006289277 | dipyrrolylpropane | 2,2'-(Propane-2,2-diyl)bis(1H-pyrrole)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

5,5'-Dimethyldipyrromethane is a dipyrrole building block for porphyrin synthesis.

Spécifications

Synonymes

DTXSID70462934 | KSC-7-175 | 2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole | 5,5'-DIMETHYLDIPYRROMETHANE | KUC105365N | AKOS006289277 | dipyrrolylpropane | 2,2'-(Propane-2,2-diyl)bis(1H-pyrrole)

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528761124

Sourires canoniques

CC(C)(C1=CC=CN1)C2=CC=CN2

IUPAC Name

2-[2-(1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole

InChIKey

LATXIKIAELSWEJ-UHFFFAOYSA-N

INCHI

1S/C11H14N2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h3-8,12-13H,1-2H3

Isomères SMILES

CC(C)(C1=CC=CN1)C2=CC=CN2

Poids moléculaire

174.24

Reaxy-Rn

139448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139448&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.58 (Predicted)
• Point d'ébullition (°C): 343.35° C at 760 mmHg (Predicted)
• Point de fusion (°C): 78.02° C (Predicted)
• Poids moléculaire: 174.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 174.116 Da
• Monoisotopic Mass: 174.116 Da
• Topological Polar Surface Area: 31.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 159.000
• 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