2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline - ≥97% , CAS No.13311-77-8

CAS: 13311-77-8 Cat. No.: D468692 Peso molecular: 162.23 Número EC: 694-775-8

GRADE & PURITY ≥97%

Synonyms

2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline, 97% | 2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline | 2,3-dimethyl-1,2,3,4-tetrahydro-quinoxaline | CCG-356423 | NSC114128 | NSC-114128 | Quinoxaline, 1,2,3,4-tetrahydro-2,3-dimethyl- | SCHEMBL6587899 | 2,3-dimethy

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2, 3-Dimethyl-1, 2, 3, 4-tetrahydroquinoxaline, 97% | 2, 3-Dimethyl-1, 2, 3, 4-tetrahydroquinoxaline | 2, 3-dimethyl-1, 2, 3, 4-tetrahydro-quinoxaline | CCG-356423 | NSC114128 | NSC-114128 | Quinoxaline, 1, 2, 3, 4-tetrahydro-2, 3-dimethyl- | SCHEMBL6587899 | 2, 3-dimethy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189187
• Sonrisas canónicas: CC1C(NC2=CC=CC=C2N1)C
• IUPAC Name: 2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline
• InChIKey: JKMHQZSBOQTMRG-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11-12H,1-2H3
• Isómeros SMILES: CC1C(NC2=CC=CC=C2N1)C
• WGK Alemania: 3
• Peso molecular: 162.23
• Reaxy-Rn: 83216
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83216&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Secondary alkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Secondary alkylarylamines
• Alternative Parents: Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as secondary alkylarylamines. These are secondary alkylarylamines with the general formula HN(R)R' (R = alkyl, R' = aryl).
• 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

• Punto de fusión (°C): 109-114 °C
• Peso molecular: 162.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.116 Da
• Monoisotopic Mass: 162.116 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Weiyou Zhou, Qianyun Tao, Fu'an Sun, Xinbai Cao, Junfeng Qian, Jie Xu, Mingyang He, Qun Chen, Jianliang Xiao.  (2018)  Additive-free aerobic oxidative dehydrogenation of N-heterocycles under catalysis by NiMn layered hydroxide compounds.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2018.01.030]