Malonic acid dihydrazide - ≥99% , CAS No.3815-86-9

CAS: 3815-86-9 Cat. No.: M129193 Summenformel: C₃H₈N₄O₂ Molekulargewicht: 132.123 Beilstein Registry Number: 1072337 EG-Nummer: 670-404-5

GRADE & PURITY ≥99%

Synonyms

PSIKPHJLTVSQFO-UHFFFAOYSA- | NSC 649 | BRN 1072337 | SB85904 | 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl- | M3206 | Propanedioic acid, 1,3-dihydrazide | Malonhydrazide | NSC649 | NSC-649 | SCHEMBL220535 | C3H8N4O2 | Malonic dihydrazide | Malonohydraz

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

PSIKPHJLTVSQFO-UHFFFAOYSA- | NSC 649 | BRN 1072337 | SB85904 | 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl- | M3206 | Propanedioic acid, 1,3-dihydrazide | Malonhydrazide | NSC649 | NSC-649 | SCHEMBL220535 | C3H8N4O2 | Malonic dihydrazide | Malonohydraz

Spezifikationen & Reinheit

≥99%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504755177

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755177

Kanonisches Lächeln

C(C(=O)NN)C(=O)NN

IUPAC Name

propanedihydrazide

InChIKey

PSIKPHJLTVSQFO-UHFFFAOYSA-N

INCHI

1S/C3H8N4O2/c4-6-2(8)1-3(9)7-5/h1,4-5H2,(H,6,8)(H,7,9)

Isomere SMILES

C(C(=O)NN)C(=O)NN

Molekulargewicht

132.123

Beilstein

1072337

Reaxy-Rn

1072337

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air and moisture sensitive
• Schmelzpunkt (°C): 152-156°C
• Molekulargewicht: 132.120 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.065 Da
• Monoisotopic Mass: 132.065 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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