Adipamidoxime (NSC 70868) - ≥98% , CAS No.15347-78-1

CAS: 15347-78-1 Cat. No.: A412263 Molecular Weight: 174.20

GRADE & PURITY ≥98%

Synonyms

A902399 | N'1,N'6-DIHYDROXYADIPIMIDAMIDE | N1,N6-Dihydroxyadipimidamide | P8K464TO7J | 1-N',6-N'-dihydroxyhexanediimidamide | DTXSID70165332 | starbld0009769 | N1,N6-dihydroxyhexanediamidine | NCIOpen2_000408 | Adipyl diamidoxime | Hexanediimidamide, N,N'

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Information

Adipamidoxime (NSC 70868) is a new bioactive compoud.

Specifications

Synonyms

A902399 | N'1, N'6-DIHYDROXYADIPIMIDAMIDE | N1, N6-Dihydroxyadipimidamide | P8K464TO7J | 1-N', 6-N'-dihydroxyhexanediimidamide | DTXSID70165332 | starbld0009769 | N1, N6-dihydroxyhexanediamidine | NCIOpen2_000408 | Adipyl diamidoxime | Hexanediimidamide, N, N'

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Adipamidoxime (NSC 70868) is a new bioactive compoud.

Storage

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(CCC(=NO)N)CC(=NO)N
• IUPAC Name: 1-N',6-N'-dihydroxyhexanediimidamide
• InChIKey: KKQNCWWVKWCZID-UHFFFAOYSA-N
• INCHI: 1S/C6H14N4O2/c7-5(9-11)3-1-2-4-6(8)10-12/h11-12H,1-4H2,(H2,7,9)(H2,8,10)
• Isomeric SMILES: C(C/C(=N/O)/N)CC/C(=N/O)/N
• Molecular Weight: 174.20
• Reaxy-Rn: 1777751
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1777751&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amidoximes
• Alternative Parents: Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amidoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amidoximes. These are amidines, in which the imino nitrogen is substituted by a hydroxy group.
• 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

• Molecular Weight: 174.200 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 174.112 Da
• Monoisotopic Mass: 174.112 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 158.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1