Sodium 3-Morpholinopropanesulfonate - CAS 71119-22-7

Catalog:	BB034312
Product Name:	Sodium 3-Morpholinopropanesulfonate
CAS:	71119-22-7
Synonyms:	sodium;3-(4-morpholinyl)-1-propanesulfonate; sodium;3-morpholin-4-ylpropane-1-sulfonate

Technical Data

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Computed Properties

Related CAS:	1132-61-2
IUPAC Name:	sodium;3-morpholin-4-ylpropane-1-sulfonate
Description:	MOPS sodium salt is used as a buffering agent.
Molecular Weight:	231.25
Molecular Formula:	C7H14NO4SNa
Canonical SMILES:	C1COCCN1CCCS(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C7H15NO4S.Na/c9-13(10,11)7-1-2-8-3-5-12-6-4-8;/h1-7H2,(H,9,10,11);/q;+1/p-1
InChI Key:	MWEMXEWFLIDTSJ-UHFFFAOYSA-M
Purity:	≥ 98 %
MDL:	MFCD00064350
LogP:	0.27260

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GHS Hazard Statement:	H315 (97.83%): 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

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.05412338
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.05412338
Rotatable Bond Count:	4
Topological Polar Surface Area:	78 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0