N-Hydroxycyclopropanecarboximidamide - ≥96% , CAS No.51285-13-3

CAS: 51285-13-3 Cat. No.: N589318 Molecular Weight: 100.12 EC Number: 695-783-4

GRADE & PURITY ≥96%

Synonyms

Cyclopropanecarboxamid oxime | Cyclopropanecarboxamide oxime | CCG-358146 | DTXSID80430548 | MFCD07772876 | (Z)-N'-hydroxycyclopropanecarboxamidine | 1240301-72-7 | J-523589 | (Z)-N'-hydroxycyclopropanecarboximidamide | AS-5706 | N'-hydroxycyclopropanecar

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Cyclopropanecarboxamid oxime | Cyclopropanecarboxamide oxime | CCG-358146 | DTXSID80430548 | MFCD07772876 | (Z)-N'-hydroxycyclopropanecarboxamidine | 1240301-72-7 | J-523589 | (Z)-N'-hydroxycyclopropanecarboximidamide | AS-5706 | N'-hydroxycyclopropanecar

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1CC1C(=NO)N
• IUPAC Name: N'-hydroxycyclopropanecarboximidamide
• InChIKey: OMCUPXRCMTUDHI-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O/c5-4(6-7)3-1-2-3/h3,7H,1-2H2,(H2,5,6)
• Isomeric SMILES: C1CC1/C(=N/O)/N
• Molecular Weight: 100.12
• Reaxy-Rn: 2573242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2573242&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 homomonocyclic compounds
• Substituents: Amidoxime - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic 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: 100.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 100.064 Da
• Monoisotopic Mass: 100.064 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 95.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1