MeO-2PACz - ≥98% , CAS No.2377770-18-6

CAS: 2377770-18-6 Cat. No.: M404348 Molecular Weight: 335.3 EC Number: 878-594-3

GRADE & PURITY ≥98%

Synonyms

SB66275 | D5798 | 2-(3,6-dimethoxycarbazol-9-yl)ethylphosphonic acid | (2-(3,6-Dimethoxy-9H-carbazol-9-yl)ethyl)phosphonic acid | [2-(3,6-dimethoxy-9h-carbazol-9-yl)ethyl]phosphonic acid | E85623 | MeO-2PACz | 2377770-18-6 | MFCD32898420 | SCHEMBL22804520

Storage

Argon charged,Room temperature

Specifications

Synonyms

SB66275 | D5798 | 2-(3, 6-dimethoxycarbazol-9-yl)ethylphosphonic acid | (2-(3, 6-Dimethoxy-9H-carbazol-9-yl)ethyl)phosphonic acid | [2-(3, 6-dimethoxy-9h-carbazol-9-yl)ethyl]phosphonic acid | E85623 | MeO-2PACz | 2377770-18-6 | MFCD32898420 | SCHEMBL22804520

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488203081
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203081
• Canonical Smiles: COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCP(=O)(O)O
• IUPAC Name: 2-(3,6-dimethoxycarbazol-9-yl)ethylphosphonic acid
• InChIKey: XIOYECJFQJFYLM-UHFFFAOYSA-N
• INCHI: 1S/C16H18NO5P/c1-21-11-3-5-15-13(9-11)14-10-12(22-2)4-6-16(14)17(15)7-8-23(18,19)20/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19,20)
• Isomeric SMILES: COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCP(=O)(O)O
• Molecular Weight: 335.3
• Reaxy-Rn: 39311780
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39311780&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Organic phosphonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Anisole - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Organophosphonic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene 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,Air Sensitive
• Melt Point(°C): 171 °C
• Molecular Weight: 335.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 335.092 Da
• Monoisotopic Mass: 335.092 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 428.000
• 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

References

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