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

CAS: 6872-06-6 Cat. No.: M103558 Molecular Weight: 133.19 Beilstein Registry Number: 20279 EC Number: 229-971-0

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥99%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488182815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182815
• Canonical Smiles: 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
• Isomeric SMILES: CC1CC2=CC=CC=C2N1
• WGK Germany: 3
• RTECS: NM1926350
• Molecular Weight: 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
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light and air sensitive
• Refractive Index: 1.569
• Flash Point(°F): 199.4 °F
• Flash Point(°C): 93 °C
• Boil Point(°C): 228-229°C
• Molecular Weight: 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