2,4,6-Triethyl-1,3,5-benzenetrimethanamine trihydrochloride - ≥93% , CAS No.190779-64-7

CAS: 190779-64-7 Cat. No.: T168214 Molecular Weight: 358.78 Beilstein Registry Number: 7728850 EC Number: 635-351-4 PubChem CID: 71310676

GRADE & PURITY ≥93%

Synonyms

J-012322 | (2,4,6-Triethylbenzene-1,3,5-triyl)trimethanamine trihydrochloride | 1,3,5-Benzenetrimethanamine, 2,4,6-triethyl-, hydrochloride (1:3) | (2,4,6-Triethylbenzene-1,3,5-triyl)trimethanamine--hydrogen chloride (1/3) | DTXSID10746285 | 2,4,6-Triethy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

J-012322 | (2, 4, 6-Triethylbenzene-1, 3, 5-triyl)trimethanamine trihydrochloride | 1, 3, 5-Benzenetrimethanamine, 2, 4, 6-triethyl-, hydrochloride (1:3) | (2, 4, 6-Triethylbenzene-1, 3, 5-triyl)trimethanamine--hydrogen chloride (1/3) | DTXSID10746285 | 2, 4, 6-Triethy

Specifications & Purity

≥93%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 488202207
• Canonical Smiles: CCC1=C(C(=C(C(=C1CN)CC)CN)CC)CN.Cl.Cl.Cl
• IUPAC Name: [3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine;trihydrochloride
• InChIKey: ANVPKDSNTWAVCX-UHFFFAOYSA-N
• INCHI: 1S/C15H27N3.3ClH/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17;;;/h4-9,16-18H2,1-3H3;3*1H
• Isomeric SMILES: CCC1=C(C(=C(C(=C1CN)CC)CN)CC)CN.Cl.Cl.Cl
• WGK Germany: 3
• PubChem CID: 71310676
• Molecular Weight: 358.78
• Beilstein: 7728850

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Sensitivity: Hygroscopic
• Molecular Weight: 358.800 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 357.151 Da
• Monoisotopic Mass: 357.151 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 176.000
• 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: 4

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