Carbohydrazide - ≥97% , CAS No.497-18-7

CAS: 497-18-7 Cat. No.: C102118 Molecular Weight: 90.08 Beilstein Registry Number: 1747070 EC Number: 207-837-2

GRADE & PURITY ≥97%

Synonyms

Carbonohydrazid | Carbohydrazide, 98% | Carbonic dihydrazide | carbonylbis-hydrazine | Cyclic propylene (diethoxyphosphinyl)dithioimidocarbonate | Benzeneacetaldehyde, .alpha.-phenyl- | E77171 | Hydrazine, carbonylbis- | Carbonic acid, dihydrazide | Urea,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Carbonohydrazid | Carbohydrazide, 98% | Carbonic dihydrazide | carbonylbis-hydrazine | Cyclic propylene (diethoxyphosphinyl)dithioimidocarbonate | Benzeneacetaldehyde, .alpha.-phenyl- | E77171 | Hydrazine, carbonylbis- | Carbonic acid, dihydrazide | Urea,

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(=O)(NN)NN
• IUPAC Name: 1,3-diaminourea
• InChIKey: XEVRDFDBXJMZFG-UHFFFAOYSA-N
• INCHI: 1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
• Isomeric SMILES: C(=O)(NN)NN
• WGK Germany: 2
• RTECS: FF2625000
• Molecular Weight: 90.08
• Beilstein: 1747070
• Reaxy-Rn: 1747069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazidines
• Alternative Parents: Hydrazones Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazidine - Hydrazone - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrazidines. These are hydrazine derivatives with the general formula RC(NHNH2)2=NNH2.
• External Descriptors: one-carbon compound - carbohydrazide

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

• Solubility: Solubility in water: Completely soluble; Insoluble in Ether,Alcohol
• Sensitivity: Air Sensitive,Heat Sensitive
• Melt Point(°C): 150-153°C
• Molecular Weight: 90.090 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 90.0542 Da
• Monoisotopic Mass: 90.0542 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.500
• 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

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