Diisopropyl hydrazine-1,2-dicarboxylate - ≥97% , CAS No.19740-72-8

CAS: 19740-72-8 Cat. No.: D191872 Molecular Weight: 204.22

GRADE & PURITY ≥97%

Synonyms

Diisopropyl bicarbamate; Diisopropyl Hydrazine-1,2-dicarboxylate; Orlistat Related Compound B | Bicarbamic Acid Diisopropyl Ester | DTXSID6066523 | regid4251580 | Diisopropyl bicarbamate | U7924912PH | CELOGEN HT-500 | DS-11507 | EINECS 243-263-9 | Bis(1-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Diisopropyl bicarbamate; Diisopropyl Hydrazine-1, 2-dicarboxylate; Orlistat Related Compound B | Bicarbamic Acid Diisopropyl Ester | DTXSID6066523 | regid4251580 | Diisopropyl bicarbamate | U7924912PH | CELOGEN HT-500 | DS-11507 | EINECS 243-263-9 | Bis(1-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755921
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755921
• Canonical Smiles: CC(C)OC(=O)NNC(=O)OC(C)C
• IUPAC Name: propan-2-yl N-(propan-2-yloxycarbonylamino)carbamate
• InChIKey: FBZULTVJWVCJQV-UHFFFAOYSA-N
• INCHI: 1S/C8H16N2O4/c1-5(2)13-7(11)9-10-8(12)14-6(3)4/h5-6H,1-4H3,(H,9,11)(H,10,12)
• Isomeric SMILES: CC(C)OC(=O)NNC(=O)OC(C)C
• Molecular Weight: 204.22
• Reaxy-Rn: 1872653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872653&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Hydrazinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Hydrazinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrazinecarboxylic acid esters
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrazinecarboxylic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrazinecarboxylic acid esters. These are ester derivatives of hydrazinecarboxylic acids.
• 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

• Solubility: Soluble in Methanol
• Melt Point(°C): 108 °C
• Molecular Weight: 204.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 204.111 Da
• Monoisotopic Mass: 204.111 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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