3-(1-Pyridinio)-1-propanesulfonate - CAS 15471-17-7

Name: 3-(1-Pyridinio)-1-propanesulfonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011049
Product Name:	3-(1-Pyridinio)-1-propanesulfonate
CAS:	15471-17-7
Synonyms:	3-pyridin-1-ium-1-ylpropane-1-sulfonate
Application:	Used to formulate metal surface treatment products (including those for galvanizing and electroplating), non-metal surface treatment products, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, and flux coating/core welding and soldering products.

Technical Data

IUPAC Name:	3-pyridin-1-ium-1-ylpropane-1-sulfonate
Description:	3-(N,N-Dimethylpalmitylammonio)propanesulfonate has been used in a study to assess the characterization of rat dihydroceramide desaturase. It has also been used in a study to investigate the inhibition of mitochondrial carnitine-acylcarnitine translocase by sulfobetaines. It is also used for extraction of proteins for analysis by chromatography, mass spectroscopy, and electrophoretic methods.
Molecular Weight:	201.24
Molecular Formula:	C8H11NO3S
Canonical SMILES:	C1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]
InChI:	InChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:	REEBJQTUIJTGAL-UHFFFAOYSA-N
Melting Point:	280 °C
Flash Point:	320 °F
Purity:	> 98.0 % (LC) (N)
Appearance:	White solid
Storage:	2-8 °C
MDL:	MFCD00064468
LogP:	0.55470

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021183896-A1	Methods of modulating gastrointestinal microbial metabolic pathways and metabolites	20200313
JP-2021133666-A	On-machine development type lithographic printing plate Original plate, lithographic printing plate manufacturing method, and lithographic printing method	20200228
WO-2021155274-A1	Methods of preparing lipid nanoparticles	20200131
WO-2021154923-A2	Methods and systems for producing aav particles	20200129
WO-2021153517-A1	On-press development-type printing plate precursor, method for producing printing plate, and printing method	20200128

PMID	Publication Date	Title	Journal
17284802	20070201	3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate	Acta crystallographica. Section C, Crystal structure communications
15937284	20050701	Investigation of protein refolding using a fractional factorial screen: a study of reagent effects and interactions	Protein science : a publication of the Protein Society

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.04596439
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.04596439
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1