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N-(p-Toluoyl)glycine - >98.0%(HPLC), high purity , CAS No.27115-50-0

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N-(p-Toluoyl)glycine - >98.0%(HPLC), high purity , CAS No.27115-50-0

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 27115-50-0
Molecular Weight: 193.2
MDL number: MFCD00020449
PubChem CID: 97479
PubChem SID: 488187059

In stock

Item Number

N159222

Grouped product items
SKU	Size	Availability	Price
N159222-1g	1g	4	$14.90
N159222-5g	5g	5	$56.90
N159222-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$165.90
N159222-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$595.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	BBL025689 \| QXGDJXLJHBZELB-BDAKNGLRSA-N \| 4-METHYLHIPPURICACID \| Glycine, N-(4-methylbenzoyl)- \| [(4-Methylbenzoyl)amino]acetic acid # \| STK696186 \| DTXSID00181580 \| Sodium rabeprazole \| [(4-Methylbenzoyl)amino]acetic acid \| EINECS 248-231-8 \| F1130-0053
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	4-Methylhippuric acid is the major metabolite of xylene and has been determined in urine by gas chromatography.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids p-Toluamides Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Benzoyl - Toluene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors	N-acylglycine
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

Associated Targets(Human)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid	488187059
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187059
IUPAC Name	2-[(4-methylbenzoyl)amino]acetic acid
INCHI	InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey	NRSCPTLHWVWLLH-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)C(=O)NCC(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)C(=O)NCC(=O)O
WGK Germany	3
Molecular Weight	193.2
Reaxy-Rn	2104083
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104083&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.

4 results found

Lot Number	Certificate Type	Date	Item
G2511001	Certificate of Analysis	May 13, 2021	N159222
L2404123	Certificate of Analysis	May 13, 2021	N159222
D2323818	Certificate of Analysis	May 13, 2021	N159222
D2323810	Certificate of Analysis	May 13, 2021	N159222

Chemical and Physical Properties

Melt Point(°C)	161 °C
Molecular Weight	193.200 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.074 Da
Monoisotopic Mass	193.074 Da
Topological Polar Surface Area	66.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219.000
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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