2-Methylindoline - ≥99% , CAS No.6872-06-6

CAS: 6872-06-6 Cat. No.: M103558 Fórmula: C₉H₁₁N Peso molecular: 133.19 Beilstein Registry Number: 20279 Número EC: 229-971-0

CALIDAD & PUREZA ≥99%

Synonyms

M0871 | Q27262116 | MFCD19217263 | 2,3-DIHYDRO-2-METHYL-1H-INDOLE | 2-Methylindoline, 98% | D71186 | EINECS 229-971-0 | SCHEMBL12837999 | STR07895 | 2-methyl indoline | 2-Methylindoline | 2-methyl-indoline | A9135 | 1H-Indole,3-dihydro-2-methyl- | 2-Methy

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

M0871 | Q27262116 | MFCD19217263 | 2,3-DIHYDRO-2-METHYL-1H-INDOLE | 2-Methylindoline, 98% | D71186 | EINECS 229-971-0 | SCHEMBL12837999 | STR07895 | 2-methyl indoline | 2-Methylindoline | 2-methyl-indoline | A9135 | 1H-Indole,3-dihydro-2-methyl- | 2-Methy

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Argon charged,Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488182815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182815

Sonrisas canónicas

CC1CC2=CC=CC=C2N1

IUPAC Name

2-methyl-2,3-dihydro-1H-indole

InChIKey

QRWRJDVVXAXGBT-UHFFFAOYSA-N

INCHI

1S/C9H11N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7,10H,6H2,1H3

Isómeros SMILES

CC1CC2=CC=CC=C2N1

WGK Alemania

3

RTECS

NM1926350

Peso molecular

133.19

Beilstein

20279

Reaxy-Rn

81505

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Propiedades químicas y físicas

• Sensibilidad: Light and air sensitive
• Índice de refracción: 1.569
• Punto de inflamación (°F): 199.4 °F
• Punto de inflamación (°C): 93 °C
• Punto de ebullición (°C): 228-229°C
• Peso molecular: 133.190 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1