Hippuric acid - analytical standard , CAS No.495-69-2

CAS: 495-69-2 Cat. No.: H100064 Fórmula: C9H9NO3 Peso molecular: 179.17 Beilstein Registry Number: 1073987 Número EC: 207-806-3
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
N-Benzoylglycine | n-benzoyl-glycine | Tox21_111710_1 | (benzoylamino)-Acetate | 2-(Phenylformamido)Acetic Acid | Bz-Gly-OH | Benzoylglycin | Benzoylglycocoll | FT-0660260 | NCGC00159486-02 | TimTec1_002805 | Acido ippurico [Italian] | HIPPURIC ACID [INCI
Storage
Room temperature
Shipped In
Normal
★
Size
Alemania (EU)
USA*
Price
Qty
250mg
H100064-250mg
—
1 Disponible

79,75€

118,79€
Guardar 39,05 € (32.87%)
1g
H100064-1g
—
3 Disponible

267,18€

376,51€
Guardar 109,34 € (29.04%)
5g
H100064-5g
—
1 Disponible

1.277,23€

1.490,69€
Guardar 213,46 € (14.32%)
10g
H100064-10g
—
1 Disponible

1.770,10€

2.295,08€
Guardar 524,98 € (22.87%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

analytical standard Patrón analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
N-Benzoylglycine | n-benzoyl-glycine | Tox21_111710_1 | (benzoylamino)-Acetate | 2-(Phenylformamido)Acetic Acid | Bz-Gly-OH | Benzoylglycin | Benzoylglycocoll | FT-0660260 | NCGC00159486-02 | TimTec1_002805 | Acido ippurico [Italian] | HIPPURIC ACID [INCI
Especificaciones y pureza
analytical standard
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Grado
Patrón analítico
Nombres e identificadores
Pubchem Sid
Sonrisas canónicas
C1=CC=C(C=C1)C(=O)NCC(=O)O
IUPAC Name
2-benzamidoacetic acid
InChIKey
QIAFMBKCNZACKA-UHFFFAOYSA-N
INCHI
1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Isómeros SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)O
WGK Alemania
3
RTECS
MR8150000
Peso molecular
179.17
Beilstein
1073987
Reaxy-Rn
1073987
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073987&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Benzamides - Hippuric acids and derivatives
Direct ParentHippuric acids
Alternative Parents N-acyl-alpha amino acids  Benzoyl derivatives  Secondary carboxylic acid amides  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
DHFR Tclin Dihydrofolate reductase (3072 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KYNU Tchem Kynureninase (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a20 Solute carrier family 22 member 20 (86 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc22a6 Solute carrier family 22 member 6 (141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 NumberCertificate TypeFechaArticulo
G2610081Certificate of AnalysisJul 18, 2026 H100064
F2210506Certificate of AnalysisMar 22, 2024 H100064
F2210763Certificate of AnalysisMar 22, 2024 H100064
F2210764Certificate of AnalysisMar 22, 2024 H100064
F2210765Certificate of AnalysisMar 22, 2024 H100064
E1823209Certificate of AnalysisOct 17, 2023 H100064
Propiedades químicas y físicas
SensibilidadMoisture sensitive.
Punto de fusión (°C)188-191°C
Peso molecular179.170 g/mol
XLogP30.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass179.058 Da
Monoisotopic Mass179.058 Da
Topological Polar Surface Area66.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity197.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Calculadoras de soluciones
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