CYCLAMATE CALCIUM DIHYDRATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII OK71859Z12
EPA CompTox DTXSID70207706

Structure

InChI Key RBTQJTVPZBDPIF-UHFFFAOYSA-L
Smiles O.O.[Ca++].[O-]S(=O)(=O)NC1CCCCC1.[O-]S(=O)(=O)NC1CCCCC1
InChI
InChI=1S/2C6H13NO3S.Ca.2H2O/c2*8-11(9,10)7-6-4-2-1-3-5-6;;;/h2*6-7H,1-5H2,(H,8,9,10);;2*1H2/q;;+2;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H28CaN2O8S2
Molecular Weight 432.09
AlogP -1.29
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 201.46
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 5897-16-5
NORMAN SUSDAT
FDA SRS OK71859Z12
PubChem 22186
CONTENTS