N,N′-Diethyl-1,3-propanediamine - ≥97% , CAS No.10061-68-4

CAS: 10061-68-4 Cat. No.: D124208 Peso molecular: 130.23 Beilstein Registry Number: 1734025 Número EC: 233-200-3

GRADE & PURITY ≥97%

Synonyms

LY-353381.HCl | N,N'-Diethyl-1,3-propandiamine | 1,3-Bis(ethylamino)propane (sym.), purum, >=97.0% (GC) | AI3-52755 | N,N'-Diethyl-1,3-propanediamine;ethyl-[3-(ethylamino)propyl]amine | Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester | DTXSID8064935 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LY-353381.HCl | N, N'-Diethyl-1, 3-propandiamine | 1, 3-Bis(ethylamino)propane (sym.), purum, >=97.0% (GC) | AI3-52755 | N, N'-Diethyl-1, 3-propanediamine;ethyl-[3-(ethylamino)propyl]amine | Benzenepropanoic acid, 3-bromo-3-oxo-, ethyl ester | DTXSID8064935 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488186086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186086
• Sonrisas canónicas: CCNCCCNCC
• IUPAC Name: N,N'-diethylpropane-1,3-diamine
• InChIKey: BEPGHZIEOVULBU-UHFFFAOYSA-N
• INCHI: 1S/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3
• Isómeros SMILES: CCNCCCNCC
• WGK Alemania: 3
• Número ONU: 2734
• Grupo de embalaje: II
• Peso molecular: 130.23
• Beilstein: 1734025
• Reaxy-Rn: 1734025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734025&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.4374
• Punto de inflamación (°F): 116.6 °F
• Punto de inflamación (°C): 47 °C
• Peso molecular: 130.229 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 130.147 Da
• Monoisotopic Mass: 130.147 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 40.200
• 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: 1

Referencias

1. Xue-Mei Zhang, Shi-Zhong Yang, Homely Isaya Mtui, Bo-Zhong Mu.  (2025)  Polyunsaturated Fatty Acid-Rich Waste Vegetable Oil-Derived Bio-Based Zwitterionic Surfactants with High Interfacial Activity for Enhanced Oil Recovery.  Processes,  13  (7): (2159).  [PMID:] [10.3390/pr13072159]