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Sodium 4-aminohippurate - 10mM in DMSO, high purity , CAS No.94-16-6

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 94-16-6
Molecular Weight: 216.17
PubChem CID: 443971

In stock

Item Number

S427014

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SKU	Size	Availability	Price	Qty
S427014-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90

a derivative of hippuric acid

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Compound libraries (12325)

Basic Description

Synonyms	Aminohippurate sodium \| 94-16-6 \| Sodium p-aminohippurate \| p-Aminohippurate sodium \| Monosodium p-aminohippurate \| Sodium 4-aminohippurate \| Aminohippuric acid Sodium salt \| Aminohippurate (sodium) \| Natrium 4-aminohippurat \| Ammohippurate sodium \| Sodium para-Aminohippurat
Specifications & Purity	Moligand™, 10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	Sodium 4-aminohippurate (4-Aminohippuric acid sodium salt) is a derivative of hippuric acid.

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 Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Secondary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Organopnictogen compounds Primary amines
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 - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Amino acid - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic sodium salt - 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	organic sodium salt
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	sodium;2-[(4-aminobenzoyl)amino]acetate
INCHI	InChI=1S/C9H10N2O3.Na/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13;/h1-4H,5,10H2,(H,11,14)(H,12,13);/q;+1/p-1
InChIKey	UNZMYCAEMNVPHX-UHFFFAOYSA-M
Smiles	C1=CC(=CC=C1C(=O)NCC(=O)[O-])N.[Na+]
Isomeric SMILES	C1=CC(=CC=C1C(=O)NCC(=O)[O-])N.[Na+]
PubChem CID	443971
Molecular Weight	216.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.170 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	216.051 Da
Monoisotopic Mass	216.051 Da
Topological Polar Surface Area	95.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227.000
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	2

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