1-Propanesulfonic acid,2-hydroxy-3-[(2-hydroxy-1,1-dimethylethyl)amino]-, sodium salt (1:1) (102029-60-7)

The AMPSO sodium salt, with the CAS registry number 102029-60-7, has the systematic name of sodium 2-hydroxy-3-[(2-hydroxy-1,1-dimethyl-ethyl)amino]propane-1-sulfonate. The molecular formula of the chemical is C₇H₁₆NNaO₅S.

The characteristics of this chemical are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 6; (3)Rotatable Bond Count 6; (4)Exact Mass 249.064688; (5)MonoIsotopic Mass 249.064688; (6)Topological Polar Surface Area 118; (7)Heavy Atom Count 15; (8)Formal Charge 0; (9)Complexity 261; (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.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin and is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(CO)NCC(CS(=O)(=O)[O-])O.[Na+]
(2)InChI: InChI=1/C7H17NO5S.Na/c1-7(2,5-9)8-3-6(10)4-14(11,12)13;/h6,8-10H,3-5H2,1-2H3,(H,11,12,13);/q;+1/p-1
(3)InChIKey: UVGYCHPTWHWEPZ-REWHXWOFAK