N-Methylcarbonyl-2-chloroacetamidrazone - ≥98% , CAS No.155742-64-6

CAS: 155742-64-6 Cat. No.: N347712 Molecular Weight: 165.58 EC Number: 689-138-6

GRADE & PURITY ≥98%

Synonyms

AKOS015911737 | (Z)-Methyl 2-(1-amino-2-chloroethylidene)hydrazinecarboxylate | (Z)-Methyl2-(1-amino-2-chloroethylidene)hydrazinecarboxylate | methyl N-[(Z)-(1-amino-2-chloroethylidene)amino]carbamate | Methyl 2-(1-amino-2-chloroethylidene)hydrazinecarbox

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

N-Methylcarbonyl-2-chloroacetamidrazone is a derivitized acetamidrazone compound.

Specifications

Synonyms

AKOS015911737 | (Z)-Methyl 2-(1-amino-2-chloroethylidene)hydrazinecarboxylate | (Z)-Methyl2-(1-amino-2-chloroethylidene)hydrazinecarboxylate | methyl N-[(Z)-(1-amino-2-chloroethylidene)amino]carbamate | Methyl 2-(1-amino-2-chloroethylidene)hydrazinecarbox

Specifications & Purity

≥98%

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

• Pubchem Sid: 504766418
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766418
• Canonical Smiles: COC(=O)NN=C(CCl)N
• IUPAC Name: methyl N-[(Z)-(1-amino-2-chloroethylidene)amino]carbamate
• InChIKey: JAIGTTPBXVVFPN-UHFFFAOYSA-N
• INCHI: 1S/C4H8ClN3O2/c1-10-4(9)8-7-3(6)2-5/h2H2,1H3,(H2,6,7)(H,8,9)
• Isomeric SMILES: COC(=O)N/N=C(/CCl)\N
• Molecular Weight: 165.58
• Reaxy-Rn: 9322286
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9322286&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Amidrazones

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Amidrazones
• Alternative Parents: Amidines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid amidrazone - Amidine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as amidrazones. These are organic compounds containing the carboxylic acid amidrazone functional 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

• Solubility: Soluble in Dichloromethane and Methanol
• Sensitivity: air sensitive
• Melt Point(°C): 125.0 to 129.0 °C
• Molecular Weight: 165.580 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.031 Da
• Monoisotopic Mass: 165.031 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 147.000
• 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