Pentaethylenehexamine (mixture) - Reagent grade , CAS No.4067-16-7

CAS: 4067-16-7 Cat. No.: P193281 Molecular Weight: 232.38 Beilstein Registry Number: 1768040 EC Number: 223-775-9 PubChem CID: 19990

GRADE & PURITY Reagent Grade

Synonyms

CCRIS 6264 | PEHA | FT-0635115 | EC 223-775-9 | Q27272660 | Pentaethylenehexamine, technical grade | 3,6,9,12-Tetraazatetradecane-1,14-diamine | MFCD00008167 | EINECS 223-775-9 | 1,2-BIS((2-((2-AMINOETHYL)AMINO)ETHYL)AMINO)ETHANE | Pentaethylenehexamine,

Storage

Room temperature

Shipped In

Normal

Overview

5.Pentaethylenehexamine has been used in the preparation of: ? polyisobutylene succinimide (PIBSI) dispersants, used as engine oil-additives ? poly(glycidyl methacrylate) (P(GMA)) homopolymers ? poly(amidoamine)s

Specifications

Synonyms

CCRIS 6264 | PEHA | FT-0635115 | EC 223-775-9 | Q27272660 | Pentaethylenehexamine, technical grade | 3, 6, 9, 12-Tetraazatetradecane-1, 14-diamine | MFCD00008167 | EINECS 223-775-9 | 1, 2-BIS((2-((2-AMINOETHYL)AMINO)ETHYL)AMINO)ETHANE | Pentaethylenehexamine,

Specifications & Purity

Reagent grade

Storage

Room temperature

Shipped In

Normal

Grade

Reagent Grade

Names and Identifiers

• Pubchem Sid: 488182578
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182578
• Canonical Smiles: C(CNCCNCCNCCNCCN)N
• IUPAC Name: N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
• InChIKey: LSHROXHEILXKHM-UHFFFAOYSA-N
• INCHI: 1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
• Isomeric SMILES: C(CNCCNCCNCCNCCN)N
• WGK Germany: 2
• RTECS: RZ2680000
• PubChem CID: 19990
• UN Number: 2735
• Packing Group: I
• Molecular Weight: 232.38
• Beilstein: 1768040

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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.5096
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 185°C
• Molecular Weight: 232.370 g/mol
• XLogP3: -3.400
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 232.238 Da
• Monoisotopic Mass: 232.238 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 108.000
• 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: 1

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