1,2-Dimethyl-3H-benzo[e]indole - ≥98% , CAS No.55970-05-3

CAS: 55970-05-3 Cat. No.: D404195 Formula: C₁₄H₁₃N Peso molecolare: 195.27

GRADE & PURITY ≥98%

Synonyms

1,2-Dimethylbenz[e]indole | 1,2-Dimethyl-benz[e]indole | D5163 | dimethyl 3h benzo[e]indol | A831510 | AKOS006230467 | FT-0659785 | AS-60237 | DTXSID80500851 | 3H-Benz[e]indole,1,2-dimethyl- | SCHEMBL20025361 | D90373 | 1,2-dimethyl-3H-benzo[e]indole | MF

Storage

Room temperature

Specifications

Sinonimi

1,2-Dimethylbenz[e]indole | 1,2-Dimethyl-benz[e]indole | D5163 | dimethyl 3h benzo[e]indol | A831510 | AKOS006230467 | FT-0659785 | AS-60237 | DTXSID80500851 | 3H-Benz[e]indole,1,2-dimethyl- | SCHEMBL20025361 | D90373 | 1,2-dimethyl-3H-benzo[e]indole | MF

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504767140

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767140

Sorrisi canonici

CC1=C(NC2=C1C3=CC=CC=C3C=C2)C

IUPAC Name

1,2-dimethyl-3H-benzo[e]indole

InChIKey

JLIDRDJNLAWIKT-UHFFFAOYSA-N

INCHI

1S/C14H13N/c1-9-10(2)15-13-8-7-11-5-3-4-6-12(11)14(9)13/h3-8,15H,1-2H3

Isomeri SMILES

CC1=C(NC2=C1C3=CC=CC=C3C=C2)C

Peso molecolare

195.27

Reaxy-Rn

151397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=151397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: 3-methylindoles Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-methylindole - 3-alkylindole - Naphthalene - Indole or derivatives - Indole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 132 °C
• Peso molecolare: 195.260 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.105 Da
• Monoisotopic Mass: 195.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 237.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55970-05-3, the molecular formula is C14H13N, and the molecular weight is 195.27 g/mol. InChIKey JLIDRDJNLAWIKT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.