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Hydroxyphenyl propamidobenzoic acid - 99%, high purity , CAS No.697235-49-7

COA

Grade & Purity:

≥99%

Cas Number: 697235-49-7
Molecular Weight: 285.295
PubChem CID: 10334118
PubChem SID: 504765404

In stock

Item Number

H304430

Grouped product items
SKU	Size	Availability	Price	Qty
H304430-25g	25g	2	$344.90
H304430-100g	100g	2	$962.90

Basic Description

Synonyms	697235-49-7 \| Hydroxyphenyl propamidobenzoic acid \| Dihydroavenanthramide D \| Benzoic acid, 2-[[3-(4-hydroxyphenyl)-1-oxopropyl]amino]- \| Symcalmin 143535 \| 2-(3-(4-Hydroxyphenyl)propanamido)benzoic acid \| 2-[3-(4-hydroxyphenyl)propanoylamino]benzoic Acid \| 25KRT26H77 \|
Specifications & Purity	≥99%
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.
Product Description	This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Benzoic acids Anilides N-arylamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - Benzoic acid - Anilide - Benzoyl - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Fatty acyl - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
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

Pubchem Sid	504765404
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765404
IUPAC Name	2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
INCHI	InChI=1S/C16H15NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-6,8-9,18H,7,10H2,(H,17,19)(H,20,21)
InChIKey	DLFOKZQWYFNKCL-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)O
Molecular Weight	285.295
Reaxy-Rn	11328015
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11328015&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.

3 results found

Lot Number	Certificate Type	Date	Item
L2412025	Certificate of Analysis	Dec 12, 2024	H304430
B2207083	Certificate of Analysis	Dec 12, 2024	H304430
B2207084	Certificate of Analysis	Dec 12, 2024	H304430

Chemical and Physical Properties

Boil Point(°C)	590.0±40.0℃(Predicted)
Molecular Weight	285.290 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	285.1 Da
Monoisotopic Mass	285.1 Da
Topological Polar Surface Area	86.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363.000
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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