Basic Description

Synonyms	SCHEMBL6512662 \| 2,5-Dihydroxybenzoicacidbutylaminesalt \| 2,5-Dihydroxybenzoic acid butylamine salt \| OGLUKKYDTRVMHP-UHFFFAOYSA-N \| 2,5-Dihydroxybenzoic acid--butan-1-amine (1/1) \| T71195 \| 2,5-Dihydroxybenzoic Acid Butylamine Salt [Matrix for MALDI-TOF/M
Specifications & Purity	≥98%(HPLC)(T)
Storage Temp	Argon charged
Shipped In	Normal

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	Hydroxybenzoic acid derivatives
Alternative Parents	Salicylic acids Benzoic acids Hydroquinones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Dihydroxybenzoic acid - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Benzoic acid - Benzoyl - Hydroquinone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
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	504771964
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771964
IUPAC Name	butan-1-amine;2,5-dihydroxybenzoic acid
INCHI	InChI=1S/C7H6O4.C4H11N/c8-4-1-2-6(9)5(3-4)7(10)11;1-2-3-4-5/h1-3,8-9H,(H,10,11);2-5H2,1H3
InChIKey	OGLUKKYDTRVMHP-UHFFFAOYSA-N
Smiles	CCCCN.C1=CC(=C(C=C1O)C(=O)O)O
Isomeric SMILES	CCCCN.C1=CC(=C(C=C1O)C(=O)O)O
Molecular Weight	227.26
Reaxy-Rn	11096638
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11096638&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
C2004133	Certificate of Analysis	Dec 15, 2023	D155431

Chemical and Physical Properties

Sensitivity	Moisture sensitive.
Melt Point(°C)	115 °C
Molecular Weight	227.260 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	227.116 Da
Monoisotopic Mass	227.116 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	170.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Zhengge Chen, Yi Hong, Futao Lin, Xiongfei Zha, Fengcheng Lin, Yang Li, Bin Hu, Qi Huang, Lei Li, Zhengxu Huang, Li Ding, Zhen Zhou. (2025) An Ultra-High-Resolution Mass Spectrometer with an Intermediate-Pressure Matrix-Assisted Laser Desorption/Ionization Source. ANALYTICAL CHEMISTRY, 97 (13): (7369-7377).

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SKU	Size	Availability	Price
D155431-200mg	200mg	3	$26.90
D155431-250mg	250mg	3	$47.90
D155431-1g	1g	3	$145.90

2,5-Dihydroxybenzoic Acid Butylamine Salt [Matrix for MALDI-TOF/MS] - >98.0%(HPLC)(T), high purity , CAS No.666174-80-7