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4-Guanidinobenzoic Acid Hydrochloride - >97.0%, high purity , CAS No.42823-46-1

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 42823-46-1
Molecular Weight: 215.64
Beilstein Registry Number: 3718030
MDL number: MFCD00040587
PubChem CID: 3084875
PubChem SID: 504762442

In stock

Item Number

G156845

Grouped product items
SKU	Size	Availability	Price
G156845-5g	5g	2	$25.90
G156845-25g	25g	3	$39.90
G156845-100g	100g	3	$143.90
G156845-500g	500g	1	$646.90

View related series

Carbonyl compound (2335) Nitrogenous compounds (2445)

Basic Description

Synonyms	A6946 \| SY005675 \| SCHEMBL273175 \| DTXSID40195500 \| YETFLAUJROGBMC-UHFFFAOYSA-N \| 4-{[amino(imino)methyl]amino}benzoic acid hydrochloride \| 4-carbamimidamidobenzoic acid hydrochloride \| AKOS015847066 \| BP-21359 \| 4-(diaminomethylideneamino)benzoic acid;hy
Specifications & Purity	≥97%
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	application： 4-Guanidinobenzoic acid hydrochloride may be used in ELISA inhibition assay of mouse antiserum. It may be used in the synthesis of human acrosin inhibitor 4′-acetaminophenyl 4-guanidinobenzoate hydrochloride. product description： 4-Guanidinobenzoic acid hydrochloride is a guanidine derivative. Quality standard of 4-guanidinobenzoic acid hydrochloride has been investigated.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives - Guanidinobenzoic acids and derivatives
Direct Parent	Guanidinobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Guanidinobenzoic acid - Benzoic acid - Benzoyl - Guanidine - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as guanidinobenzoic acids. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid.
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	504762442
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762442
IUPAC Name	4-(diaminomethylideneamino)benzoic acid;hydrochloride
INCHI	InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H
InChIKey	YETFLAUJROGBMC-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl
Isomeric SMILES	C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl
WGK Germany	3
Molecular Weight	215.64
Beilstein	3718030
Reaxy-Rn	10378332
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10378332&ln=

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

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7 results found

Lot Number	Certificate Type	Date	Item
H1708060	Certificate of Analysis	Mar 04, 2025	G156845
E2527699	Certificate of Analysis	Mar 29, 2024	G156845
E2516438	Certificate of Analysis	Mar 29, 2024	G156845
E2516439	Certificate of Analysis	Mar 29, 2024	G156845
H2206082	Certificate of Analysis	Jun 11, 2022	G156845
H2206083	Certificate of Analysis	Jun 11, 2022	G156845
H2206084	Certificate of Analysis	Jun 11, 2022	G156845

Chemical and Physical Properties

Solubility	Soluble in water
Sensitivity	light sensitive
Melt Point(°C)	276 °C
Molecular Weight	215.640 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.046 Da
Monoisotopic Mass	215.046 Da
Topological Polar Surface Area	102.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
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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