CAS No.91000-53-2,N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	91000-53-2
Name:	N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt

Formula:	C₇H₁₆NNaO₆S
Molecular Weight:	265.26
Synonyms:	1-Propanesulfonicacid, 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, monosodium salt (9CI);3-[N,N-Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid sodium salt;Tris(hydroxymethyl)methylaminopropanesulfonic acid sodium salt;sodium 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propane-1-sulfonate;1-propanesulfonic acid, 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-, sodium salt (1:1);TAPS, sodium salt;
EINECS:	695-219-7
Solubility:	Soluble in water (333.33 mg/ml).
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	138.30000
LogP:	-1.30130

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Specification

The N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt, with the CAS registry number 91000-53-2, has the systematic name of sodium 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]propane-1-sulfonate. And the molecular formula of the chemical is C₇H₁₆NNaO₆S.

The characteristics of N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid sodium salt are as followings: (1)H-Bond Donor 4; (2)H-Bond Acceptor 7; (3)Rotatable Bond Count 8; (4)Exact Mass 265.059603; (5)MonoIsotopic Mass 265.059603; (6)Topological Polar Surface Area 138; (7)Heavy Atom Count 16; (8)Formal Charge 0; (9)Complexity 252; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(CNC(CO)(CO)CO)CS(=O)(=O)[O-].[Na+]
(2)InChI: InChI=1/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14;/h8-11H,1-6H2,(H,12,13,14);/q;+1/p-1
(3)InChIKey: FEGYIWVHCSRXCG-REWHXWOFAI