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DIPSO - BioReagent, ≥98%(T), pH 4.0-5.5 (20 °C, 0.1 M in H2O), high purity , CAS No.68399-80-4

COA

Grade & Purity:

BioReagent

≥98%(T)
pH 4.0-5.5 (20 °C, 0.1 M in H₂O)

Cas Number: 68399-80-4
Molecular Weight: 243
Beilstein Registry Number: 2105454
EC Number: 269-992-2
MDL number: MFCD00038353
PubChem CID: 100210

In stock

Item Number

D755523

Grouped product items
SKU	Size	Availability	Price	Qty
D755523-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
D755523-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$383.90

Basic Description

Specifications & Purity	BioReagent, ≥98%(T), pH 4.0-5.5 (20 °C, 0.1 M in H₂O)
Useful PH Range	7.0-8.2
Storage Temp	Room temperature
Shipped In	Normal
Grade	BioReagent

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Organic sulfonic acids and derivatives
    - Subclass Organosulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Organic sulfonic acids and derivatives
Subclass	Organosulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Organosulfonic acids
Alternative Parents	Sulfonyls Alkanesulfonic acids Trialkylamines Secondary alcohols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - 1,2-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
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

PH	4.0-5.5 (20 °C, 0.1 M in H 2 O)
IUPAC Name	3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid
INCHI	InChI=1S/C7H17NO6S/c9-3-1-8(2-4-10)5-7(11)6-15(12,13)14/h7,9-11H,1-6H2,(H,12,13,14)
InChIKey	XCBLFURAFHFFJF-UHFFFAOYSA-N
Smiles	C(CO)N(CCO)CC(CS(=O)(=O)O)O
Isomeric SMILES	C(CO)N(CCO)CC(CS(=O)(=O)O)O
WGK Germany	3
Molecular Weight	243
Beilstein	2105454
Reaxy-Rn	2105454
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2105454&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	H 2 O: 0.1 M, clear, colorless
Melt Point(°C)	210 °C
Molecular Weight	243.280 g/mol
XLogP3	-5.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	243.078 Da
Monoisotopic Mass	243.078 Da
Topological Polar Surface Area	127.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	243.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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