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4-Benzyloxazolidine-2,5-dione - ≥95%, high purity , CAS No.583-47-1

COA

Grade & Purity:

≥95%

Cas Number: 583-47-1
Molecular Weight: 191.18
MDL number: MFCD18375238
PubChem CID: 68501

In stock

Item Number

D304061

Grouped product items
SKU	Size	Availability	Price	Qty
D304061-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

Basic Description

Synonyms	4-Benzyloxazolidine-2,5-dione \| 583-47-1 \| 4-benzyl-1,3-oxazolidine-2,5-dione \| 4-Benzyl-2,5-oxazolidinedione \| 2,5-Oxazolidinedione, 4-(phenylmethyl)- \| MFCD18375238 \| NSC-36252 \| 1892-35-9 \| MFCD03411306 \| NSC36252 \| EINECS 209-503-1 \| MFCD03411307 \| JK8R9ZUK4S \| SCHEMBL6471382 \|
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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 Alpha amino acids and derivatives

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
Direct Parent	Alpha amino acids and derivatives
Alternative Parents	Oxazolidinones Benzene and substituted derivatives Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Oxazolidine - Carbonic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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	4-benzyl-1,3-oxazolidine-2,5-dione
INCHI	InChI=1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)
InChIKey	GQBIVYSGPXCELZ-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)CC2C(=O)OC(=O)N2
Isomeric SMILES	C1=CC=C(C=C1)CC2C(=O)OC(=O)N2
Molecular Weight	191.18
Reaxy-Rn	83260
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=83260&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.180 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	191.058 Da
Monoisotopic Mass	191.058 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	246.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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