Heptamethyleneimine - ≥97% , CAS No.1121-92-2

CAS: 1121-92-2 Cat. No.: H157012 Molecular Weight: 113.20 Beilstein Registry Number: 102615 EC Number: 214-342-5

GRADE & PURITY ≥97%

Synonyms

Azocane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Azocane

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752547
• Canonical Smiles: C1CCCNCCC1
• IUPAC Name: azocane
• InChIKey: QXNDZONIWRINJR-UHFFFAOYSA-N
• INCHI: 1S/C7H15N/c1-2-4-6-8-7-5-3-1/h8H,1-7H2
• Isomeric SMILES: C1CCCNCCC1
• WGK Germany: 3
• Molecular Weight: 113.20
• Beilstein: 102615
• Reaxy-Rn: 102615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102615&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: Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic 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: azacycloalkane - saturated organic heteromonocyclic parent - azocanes

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

Chemical and Physical Properties

• Flash Point(°F): 84.2 °F
• Flash Point(°C): 29°C(lit.)
• Boil Point(°C): 162°C(lit.)
• Molecular Weight: 113.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.12 Da
• Monoisotopic Mass: 113.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.300
• 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