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3-(Dipropylamino)-4-methoxybenzenesulfonic acid - 95%, high purity , CAS No.153086-37-4

COA

Grade & Purity:

≥95%

Cas Number: 153086-37-4
Molecular Weight: 287.38
PubChem CID: 15789139

In stock

Item Number

D191102

Grouped product items
SKU	Size	Availability	Price	Qty
D191102-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
D191102-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90

Basic Description

Synonyms	153086-37-4 \| 3-(DIPROPYLAMINO)-4-METHOXYBENZENESULFONIC ACID \| 2-(N,N-DIPROPYL)AMINO ANISOLE-4-SULFONIC ACID \| MFCD09263742 \| Benzenesulfonic acid,3-(dipropylamino)-4-methoxy- \| C13H21NO4S \| 3-(Dipropylamino)-4-methoxybenzenesulfonicacid \| SCHEMBL8645089 \| DTXSID4057831
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonic acids and derivatives
Alternative Parents	Methoxyanilines Benzenesulfonyl compounds Aminophenyl ethers 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonate - Arylsulfonic acid or derivatives - Aminophenyl ether - 1-sulfo,2-unsubstituted aromatic compound - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Ether - Amine - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
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

IUPAC Name	3-(dipropylamino)-4-methoxybenzenesulfonic acid
INCHI	InChI=1S/C13H21NO4S/c1-4-8-14(9-5-2)12-10-11(19(15,16)17)6-7-13(12)18-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16,17)
InChIKey	RJPSRICWXREMFJ-UHFFFAOYSA-N
Smiles	CCCN(CCC)C1=C(C=CC(=C1)S(=O)(=O)O)OC
Isomeric SMILES	CCCN(CCC)C1=C(C=CC(=C1)S(=O)(=O)O)OC
Molecular Weight	287.38
Reaxy-Rn	31170590
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31170590&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	287.380 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	287.119 Da
Monoisotopic Mass	287.119 Da
Topological Polar Surface Area	75.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346.000
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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