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

CAS: 2051-79-8 Cat. No.: A103031 Molecular Weight: 214.73 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488187424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187424
• Canonical Smiles: 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
• Isomeric SMILES: CCN(CC)C1=CC(=C(C=C1)N)C.Cl
• RTECS: SS9560000
• Alternate CAS: 148-71-0
• UN Number: 2811
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines

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

Chemical and Physical Properties

• Solubility: Easily soluble in water.
• Sensitivity: Air Sensitive
• Molecular Weight: 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

References

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]