N,N′-Diisopropyl-1,3-propanediamine - ≥96% , CAS No.63737-71-3

CAS: 63737-71-3 Cat. No.: N468179 Peso molecular: 158.29 Número EC: 627-555-7

GRADE & PURITY ≥96%

Synonyms

FT-0683949 | N,N'-diisopropyl-1,3-diaminopropane | AKOS005174976 | (propan-2-yl)({3-[(propan-2-yl)amino]propyl})amine | N,N'-diisopropyl propane-1,3-diamine | N,N'-Diisopropyl-1,3-propanediamine | N,N-DIISOPROPYL-1,3-PROPANEDIAMINE | MFCD00026357 | N,N'-D

Storage

Room temperature

Specifications

Sinónimos

FT-0683949 | N, N'-diisopropyl-1, 3-diaminopropane | AKOS005174976 | (propan-2-yl)({3-[(propan-2-yl)amino]propyl})amine | N, N'-diisopropyl propane-1, 3-diamine | N, N'-Diisopropyl-1, 3-propanediamine | N, N-DIISOPROPYL-1, 3-PROPANEDIAMINE | MFCD00026357 | N, N'-D

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504757268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757268
• Sonrisas canónicas: CC(C)NCCCNC(C)C
• IUPAC Name: N,N'-di(propan-2-yl)propane-1,3-diamine
• InChIKey: OAVPQXXPJZPXTA-UHFFFAOYSA-N
• INCHI: 1S/C9H22N2/c1-8(2)10-6-5-7-11-9(3)4/h8-11H,5-7H2,1-4H3
• Isómeros SMILES: CC(C)NCCCNC(C)C
• Peso molecular: 158.29
• Reaxy-Rn: 1737147
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737147&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 1.432
• Punto de inflamación (°F): 147.2°F
• Punto de inflamación (°C): 64°C
• Punto de ebullición (°C): 77°C/15 mmHg
• Peso molecular: 158.280 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.178 Da
• Monoisotopic Mass: 158.178 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 69.600
• 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