2,3-Diaminotoluene - ≥98% , CAS No.2687-25-4

CAS: 2687-25-4 Cat. No.: D122777 Summenformel: CH₃C_6H3(NH2)2 Molekulargewicht: 122.17 Beilstein Registry Number: 907184 EG-Nummer: 220-248-5

QUALITÄT & REINHEIT ≥98%

Synonyms

2C9 | SR8WC7LLQ2 | 2,3-DIAMINOTOLUENE | 2,3-diamino-toluene | 2,3 diamino toluene | 2,3-TOLUENEDIAMINE | 3-13-00-00277 (Beilstein Handbook Reference) | NCGC00258011-01 | Toluene-2,3-diamine | Z104493206 | 2,3-Toluylenediamine | BIDD:GT0074 | UNII-SR8WC7LL

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

The antitumour activity of Pd(II) and Pt(II) new complexes with 2,3-diaminotoluene was studied. 2,3-Diaminotoluene induced CYP1A activity.

Spezifikationen

Synonyme

2C9 | SR8WC7LLQ2 | 2,3-DIAMINOTOLUENE | 2,3-diamino-toluene | 2,3 diamino toluene | 2,3-TOLUENEDIAMINE | 3-13-00-00277 (Beilstein Handbook Reference) | NCGC00258011-01 | Toluene-2,3-diamine | Z104493206 | 2,3-Toluylenediamine | BIDD:GT0074 | UNII-SR8WC7LL

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504752840

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752840

Kanonisches Lächeln

CC1=C(C(=CC=C1)N)N

IUPAC Name

3-methylbenzene-1,2-diamine

InChIKey

AXNUJYHFQHQZBE-UHFFFAOYSA-N

INCHI

1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3

Isomere SMILES

CC1=C(C(=CC=C1)N)N

WGK Deutschland

3

RTECS

XS9550000

Molekulargewicht

122.17

Beilstein

907184

Reaxy-Rn

907184

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907184&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Toluenes
        • Ebene5 Aminotoluenes
          • Ebene6 Diaminotoluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Aminotoluenes
• Direct Parent: Diaminotoluenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diaminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Siedepunkt (°C): 225°C
• Schmelzpunkt (°C): 60 °C
• Molekulargewicht: 122.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1