1-Methyl-9H-carbazole - ≥98%(GC) , CAS No.6510-65-2

CAS: 6510-65-2 Cat. No.: M404767 Molecular Weight: 181.24 EC Number: 878-780-4

GRADE & PURITY ≥98%(GC)

Synonyms

Carbazole, 1-methyl | Carbazole, 1-methyl- | DTXSID2073988 | 9IP20N6O32 | AKOS006371242 | 1-METHYLCARBAZOLE | 1-Methyl-carbazole | 1-Methyl-9H-carbazole # | A876971 | BDBM50322593 | MFCD18450170 | 9H-Carbazole, 1-methyl- | HIAGSPVAYSSKHL-UHFFFAOYSA-N | M3

Storage

Argon charged,Room temperature

Overview

Maximum Absorption Wavelength:337(EtOH)nm

Specifications

Synonyms

Carbazole, 1-methyl | Carbazole, 1-methyl- | DTXSID2073988 | 9IP20N6O32 | AKOS006371242 | 1-METHYLCARBAZOLE | 1-Methyl-carbazole | 1-Methyl-9H-carbazole # | A876971 | BDBM50322593 | MFCD18450170 | 9H-Carbazole, 1-methyl- | HIAGSPVAYSSKHL-UHFFFAOYSA-N | M3

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488182794
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182794
• Canonical Smiles: CC1=C2C(=CC=C1)C3=CC=CC=C3N2
• IUPAC Name: 1-methyl-9H-carbazole
• InChIKey: HIAGSPVAYSSKHL-UHFFFAOYSA-N
• INCHI: 1S/C13H11N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2-8,14H,1H3
• Isomeric SMILES: CC1=C2C(=CC=C1)C3=CC=CC=C3N2
• Molecular Weight: 181.24
• Reaxy-Rn: 5905
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5905&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: Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Associated Targets(Human)

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Artemia (698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 289 °C/9 mmHg
• Melt Point(°C): 123 °C
• Molecular Weight: 181.230 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 181.089 Da
• Monoisotopic Mass: 181.089 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 213.000
• 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