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

CAS: 2687-25-4 Cat. No.: D122777 Formula: CH₃C_6H3(NH2)2 Peso molecolare: 122.17 Beilstein Registry Number: 907184 Numero EC: 220-248-5

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504752840

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

XS9550000

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Aminotoluenes
          • Level6 Diaminotoluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di ebollizione (°C): 225°C
• Punto di fusione (°C): 60 °C
• Peso molecolare: 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