1,6-di(cyanoguanidino)hexane - ≥98% , CAS No.15894-70-9

CAS: 15894-70-9 Cat. No.: N303020 Molecular Weight: 250.31 EC Number: 240-032-4 PubChem CID: 85172

GRADE & PURITY ≥98%

Synonyms

1-cyano-3-[6-[(N-cyanocarbamimidoyl)amino]hexyl]guanidine | DTXSID2065967 | NAP226-90-d6 | Guanidine, N,N'''-1,6-hexanediylbis[N'-cyano- | C10H18N8 | AS-18132 | Guanidine, N,N'''-1,6-hexanediylbis(N'-cyano- | 1,6-di(cyanoguanidino)hexane | 2-[6-[[amino-(c

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-cyano-3-[6-[(N-cyanocarbamimidoyl)amino]hexyl]guanidine | DTXSID2065967 | NAP226-90-d6 | Guanidine, N, N'''-1, 6-hexanediylbis[N'-cyano- | C10H18N8 | AS-18132 | Guanidine, N, N'''-1, 6-hexanediylbis(N'-cyano- | 1, 6-di(cyanoguanidino)hexane | 2-[6-[[amino-(c

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(CCCN=C(N)NC#N)CCN=C(N)NC#N
• IUPAC Name: 2-[6-[[amino-(cyanoamino)methylidene]amino]hexyl]-1-cyanoguanidine
• InChIKey: YXZZOMVBHPCKMM-UHFFFAOYSA-N
• INCHI: 1S/C10H18N8/c11-7-17-9(13)15-5-3-1-2-4-6-16-10(14)18-8-12/h1-6H2,(H3,13,15,17)(H3,14,16,18)
• Isomeric SMILES: C(CCCN=C(N)NC#N)CCN=C(N)NC#N
• PubChem CID: 85172
• Molecular Weight: 250.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

Chemical and Physical Properties

• Sensitivity: light and moisture sensitive
• Boil Point(°C): 437.7°C
• Molecular Weight: 250.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 250.165 Da
• Monoisotopic Mass: 250.165 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 341.000
• 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