Diallylamine Hydrochloride - ≥98% , CAS No.6147-66-6

CAS: 6147-66-6 Cat. No.: D123284 Summenformel: C₆H₁₁N·HCl Molekulargewicht: 133.62 EG-Nummer: 612-154-1

GRADE & PURITY ≥98%

Synonyms

N,N-Diallylamine hydrochloride, AldrichCPR | UNII-6954CKA5LK | diallylammonium chloride | Diallylamine hydrochloride | AC7931 | Diallylamine HCl | 2-Propen-1-amine,N-2-propenyl-,hydrochloride;DIALLYLAMINE HYDROCHLORIDE;Diallyalamine hydrochloride;Diallyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

N,N-Diallylamine hydrochloride, AldrichCPR | UNII-6954CKA5LK | diallylammonium chloride | Diallylamine hydrochloride | AC7931 | Diallylamine HCl | 2-Propen-1-amine,N-2-propenyl-,hydrochloride;DIALLYLAMINE HYDROCHLORIDE;Diallyalamine hydrochloride;Diallyla

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528769684
• Kanonisches Lächeln: C=CCNCC=C.Cl
• IUPAC Name: N-prop-2-enylprop-2-en-1-amine;hydrochloride
• InChIKey: PZNOBXVHZYGUEX-UHFFFAOYSA-N
• INCHI: 1S/C6H11N.ClH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
• Isomere SMILES: C=CCNCC=C.Cl
• Molekulargewicht: 133.62
• Reaxy-Rn: 3550681
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3550681&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Secondary amines
          • Ebene6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Water almost transparency
• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 133.620 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 133.066 Da
• Monoisotopic Mass: 133.066 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 49.200
• 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

Referenzen

1. Luling Li, Chunyan Zhang, Huishan Chen, Liwei Chen, Feng Jiang.  (2023)  One-pot fabrication of a double tailed hydrophobic monomer and its application in synthesis of salt-resistant polymers.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123036]