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1-ethoxycarbonyl-4-phenylsemicarbazide - ≥97%, high purity , CAS No.17696-94-5

COA

Grade & Purity:

≥97%

Cas Number: 17696-94-5
PubChem CID: 87252

In stock

Item Number

E770457

Grouped product items
SKU	Size	Availability	Price
E770457-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$151.90
E770457-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
E770457-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$953.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass N-phenylureas

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylureas
Alternative Parents	Hydrazinecarboxylic acid esters Semicarbazides Organic carbonic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylurea - Hydrazinecarboxylic acid ester - Semicarbazide - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
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

IUPAC Name	ethyl N-(phenylcarbamoylamino)carbamate
INCHI	InChI=1S/C10H13N3O3/c1-2-16-10(15)13-12-9(14)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,13,15)(H2,11,12,14)
InChIKey	ZNRQNLRWXBDXBE-UHFFFAOYSA-N
Smiles	CCOC(=O)NNC(=O)NC1=CC=CC=C1
Isomeric SMILES	CCOC(=O)NNC(=O)NC1=CC=CC=C1
PubChem CID	87252

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.230 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	223.096 Da
Monoisotopic Mass	223.096 Da
Topological Polar Surface Area	79.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	239.000
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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