2-Amino-5-(diethylamino)toluene Monohydrochloride - ≥99% , CAS No.2051-79-8

CAS: 2051-79-8 Cat. No.: A103031 Peso molecular: 214.73 Número EC: 218-130-3

GRADE & PURITY ≥99%

Synonyms

2-Amino-5-(diethylamino)toluene Monohydrochloride | 2-amino-5-diethylaminotoluene hydrochloride | AC-1968 | 4-Diethylamino-o-toluidine HCl | A0289 | D02991 | N1,N1-DIETHYL-3-METHYLBENZENE-1,4-DIAMINE HYDROCHLORIDE | 1,4-Benzenediamine, N4,N4-diethyl-2-met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Amino-5-(diethylamino)toluene Monohydrochloride | 2-amino-5-diethylaminotoluene hydrochloride | AC-1968 | 4-Diethylamino-o-toluidine HCl | A0289 | D02991 | N1, N1-DIETHYL-3-METHYLBENZENE-1, 4-DIAMINE HYDROCHLORIDE | 1, 4-Benzenediamine, N4, N4-diethyl-2-met

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488187424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187424
• Sonrisas canónicas: CCN(CC)C1=CC(=C(C=C1)N)C.Cl
• IUPAC Name: 4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;hydrochloride
• InChIKey: MPLZNPZPPXERDA-UHFFFAOYSA-N
• INCHI: 1S/C11H18N2.ClH/c1-4-13(5-2)10-6-7-11(12)9(3)8-10;/h6-8H,4-5,12H2,1-3H3;1H
• Isómeros SMILES: CCN(CC)C1=CC(=C(C=C1)N)C.Cl
• RTECS: SS9560000
• CAS alternativo: 148-71-0
• Número ONU: 2811
• Peso molecular: 214.73
• Reaxy-Rn: 3708314
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3708314&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Tertiary alkylarylamines
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Aminotoluenes Primary amines Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Toluene - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tertiary alkylarylamines. These are tertiary amines where the nitrogen atom is linked to at least one alkyl group and at least one aryl group.
• 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

• Solubilidad: Easily soluble in water.
• Sensibilidad: Air Sensitive
• Peso molecular: 214.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.124 Da
• Monoisotopic Mass: 214.124 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 143.000
• 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: 2

XLogP3

Referencias

1. Zhou Langjun, Peng Yi, Hu Yuling, Li Gongke.  (2017)  In Situ Growth of Flexible Polyphenylene-Conjugated Microporous Polymer Films for Fluorescence Detection of the Total Quantity of Developing Agents and Their Oxidation Products.  Journal of Analysis and Testing,  1  (1): (1-7).  [PMID:] [10.1007/s41664-017-0006-8]