Bis(2-ethylhexyl)amine - ≥99% , CAS No.106-20-7

CAS: 106-20-7 Cat. No.: B108993 Formula: C₁₆H₃₅N Molecular Weight: 241.46 EC Number: 203-372-4

GRADE & PURITY ≥99%

Synonyms

1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)- | EN300-153163 | FT-0624575 | Z277467980 | EC 203-372-4 | Bis-2-ethylhexylamine | E75767 | AKOS005622644 | di-2-ethylhexyl amine | Dihexylamine, 2,2'-diethyl- | NCGC00091719-01 | NSC 5329 | AMY21861 | Di-(2-ethylhex

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application

Bis(2-ethylhexyl)amine (BEA) was used in the synthesis of stable nanosized CdS particles coated by an oriented monolayer of chemically bonded BEA molecules.

Specifications

Synonyms

1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)- | EN300-153163 | FT-0624575 | Z277467980 | EC 203-372-4 | Bis-2-ethylhexylamine | E75767 | AKOS005622644 | di-2-ethylhexyl amine | Dihexylamine, 2,2'-diethyl- | NCGC00091719-01 | NSC 5329 | AMY21861 | Di-(2-ethylhex

Specifications & Purity

≥99%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

508812108

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812108

Canonical Smiles

CCCCC(CC)CNCC(CC)CCCC

IUPAC Name

2-ethyl-N-(2-ethylhexyl)hexan-1-amine

InChIKey

SAIKULLUBZKPDA-UHFFFAOYSA-N

INCHI

1S/C16H35N/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3

Isomeric SMILES

CCCCC(CC)CNCC(CC)CCCC

UN Number

2735

Packing Group

I

Molecular Weight

241.46

Reaxy-Rn

1748342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748342&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: 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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in hydrocarbons.
• Sensitivity: air sensitive
• Refractive Index: 1.44-1.4435
• Flash Point(°C): 121℃
• Boil Point(°C): 123°C/5mmHg
• Melt Point(°C): -60°C
• Molecular Weight: 241.460 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 241.277 Da
• Monoisotopic Mass: 241.277 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1