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 CE: 229-971-0

GRAU & 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

Especificações

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

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Protected from light,Argon charged,Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488182815

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CC1CC2=CC=CC=C2N1

WGK Alemanha

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
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Light and air sensitive
• Índice de refração: 1.569
• Ponto de inflamação (°F): 199.4 °F
• Ponto de inflamação (°C): 93 °C
• Ponto de ebulição (°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