Sodium 1-pentanesulfonate monohydrate - CAS 207605-40-1

Catalog:	BB016265
Product Name:	Sodium 1-pentanesulfonate monohydrate
CAS:	207605-40-1
Synonyms:	sodium;pentane-1-sulfonate;hydrate

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Computed Properties

IUPAC Name:	sodium;pentane-1-sulfonate;hydrate
Description:	Sodium 1-Pentanesulfonate Monohydrate serves as a reagent (conversion reagent) for the simple and accurate photometric determination of the content of hemoglobin in the blood.
Molecular Weight:	192.21
Molecular Formula:	C5H13NaO4S
Canonical SMILES:	CCCCCS(=O)(=O)[O-].O.[Na+]
InChI:	InChI=1S/C5H12O3S.Na.H2O/c1-2-3-4-5-9(6,7)8;;/h2-5H2,1H3,(H,6,7,8);;1H2/q;+1;/p-1
InChI Key:	FPQYXAFKHLSWTI-UHFFFAOYSA-M
Melting Point:	300 °C
Purity:	95 %
Appearance:	White crystalline powder
MDL:	MFCD00007541
LogP:	1.80260

Publication Number	Title	Priority Date
WO-2021211923-A1	Compositions and methods for treating disease	20200416
US-2020400625-A1	Selection and design of columns for liquid chromatography	20190619
CN-107966519-B	High performance liquid chromatography analysis method and detection method of impurities in telmisartan	20180129
US-2020230245-A1	Method for preparing stabilized metal ion ligand nanocomplex and compositions thereof	20171218
US-11045553-B2	Method for preparing stabilized metal ion ligand nanocomplex and compositions thereof	20171218

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04322435
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.04322435
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0