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2-Chloro-1,3-bis(methoxycarbonyl)guanidine - 95%, high purity , CAS No.1596379-00-8

COA

Grade & Purity:

≥95%

Cas Number: 1596379-00-8
Molecular Weight: 209.59
PubChem CID: 86346410
PubChem SID: 504772496

In stock

Item Number

C587468

Grouped product items
SKU	Size	Availability	Price
C587468-250mg	250mg	3	$74.90
C587468-1g	1g	2	$202.90
C587468-5g	5g	1	$468.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Carbamic acids and derivatives
        Level7 Carbamate esters
        Level8 Methylcarbamates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Carbamic acids and derivatives - Carbamate esters
Direct Parent	Methylcarbamates
Alternative Parents	Guanidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Methylcarbamate - Guanidine - Organic nitrogen compound - Organic oxygen 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 methylcarbamates. These are methyl esters of carbamic acid.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504772496
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772496
IUPAC Name	methyl N-(N'-chloro-N-methoxycarbonylcarbamimidoyl)carbamate
INCHI	InChI=1S/C5H8ClN3O4/c1-12-4(10)7-3(9-6)8-5(11)13-2/h1-2H3,(H2,7,8,9,10,11)
InChIKey	PCUVYBUDIWDLNI-UHFFFAOYSA-N
Smiles	COC(=O)NC(=NCl)NC(=O)OC
Isomeric SMILES	COC(=O)NC(=NCl)NC(=O)OC
Molecular Weight	209.59
Reaxy-Rn	26921997
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26921997&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
K2303485	Certificate of Analysis	Sep 12, 2023	C587468
K2303471	Certificate of Analysis	Sep 12, 2023	C587468
K2303470	Certificate of Analysis	Sep 12, 2023	C587468
K2303469	Certificate of Analysis	Sep 12, 2023	C587468
K2303490	Certificate of Analysis	Sep 12, 2023	C587468
K2303472	Certificate of Analysis	Sep 12, 2023	C587468

Chemical and Physical Properties

Molecular Weight	209.590 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	209.02 Da
Monoisotopic Mass	209.02 Da
Topological Polar Surface Area	89.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	210.000
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

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