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

CAS: 13311-77-8 Cat. No.: D468692 Molecular Weight: 162.23 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189187
• Canonical Smiles: 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
• Isomeric SMILES: CC1C(NC2=CC=CC=C2N1)C
• WGK Germany: 3
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Secondary alkylarylamines

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

Chemical and Physical Properties

• Melt Point(°C): 109-114 °C
• Molecular Weight: 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

References

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]