1-Propanesulfonic acid,3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1) (102601-34-3)

The 3-Cyclohexylamino-2-hydroxypropanesulfonic acid sodium salt with the cas number 102601-34-3 is also called 1-Propanesulfonic acid,3-(cyclohexylamino)-2-hydroxy-, sodium salt (1:1). Both the systematic name and IUPAC name are sodium 3-(cyclohexylamino)-2-hydroxypropane-1-sulfonate. Its molecular formula is C₉H₁₈NNaO₄S. The product category is Pharmaceutical Intermediates.

Properties Computed from Structure: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 5; (4)Exact Mass: 259.085423; (5)MonoIsotopic Mass: 259.085423; (6)Topological Polar Surface Area: 97.8; (7)Heavy Atom Count: 16; (8)Formal Charge: 0; (9)Complexity: 272; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 1; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCC(CC1)NCC(CS(=O)(=O)[O-])O.[Na+]
(2)InChI: InChI=1/C9H19NO4S.Na/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8;/h8-11H,1-7H2,(H,12,13,14);/q;+1/p-1
(3)InChIKey: GGPORGHJKBOGDV-REWHXWOFAC