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(S)-(-)-2-(Phenylcarbamoyloxy)propionic acid - 99%, high purity , CAS No.102936-05-0

COA

Grade & Purity:

≥99%

Cas Number: 102936-05-0
Molecular Weight: 209.2
MDL number: MFCD00063138
PubChem CID: 736218

In stock

Item Number

S302098

Grouped product items
SKU	Size	Availability	Price
S302098-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
S302098-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$598.90
S302098-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,842.90

Basic Description

Synonyms	102936-05-0 \| (S)-(-)-2-(Phenylcarbamoyloxy)propionic acid \| (S)-2-((Phenylcarbamoyl)oxy)propanoic acid \| (2S)-2-(phenylcarbamoyloxy)propanoic acid \| (S)-(-)-2-[(Phenylamino)carbonyloxy]propionic acid \| SCHEMBL1032817 \| CHEMBL1087752 \| DTXSID70352967 \| MFCD00063138 \| AKOS0
Specifications & Purity	≥99%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic 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 phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2S)-2-(phenylcarbamoyloxy)propanoic acid
INCHI	InChI=1S/C10H11NO4/c1-7(9(12)13)15-10(14)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey	HYIHYWQSOXTJFS-ZETCQYMHSA-N
Smiles	CC(C(=O)O)OC(=O)NC1=CC=CC=C1
Isomeric SMILES	C[C@@H](C(=O)O)OC(=O)NC1=CC=CC=C1
PubChem CID	736218
Molecular Weight	209.2

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	150.2°C
Boil Point(°C)	324.7°C
Melt Point(°C)	150°C
Molecular Weight	209.200 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	209.069 Da
Monoisotopic Mass	209.069 Da
Topological Polar Surface Area	75.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	236.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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