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| CAS No.: | 66992-27-6 |
|---|---|
| Name: | N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H14NNaO5S |
| Molecular Weight: | 235.237 |
| Synonyms: | Ethanesulfonicacid, 2-[bis(2-hydroxyethyl)amino]-, monosodium salt (9CI); |
| EINECS: | 640-879-3 |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 10-15 |
| Safety: | 22-24/25 |
| PSA: | 109.28000 |
| LogP: | -1.10100 |
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Chemistry
Molecule structure of N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt (CAS NO.66992-27-6):
IUPAC Name: Sodium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate
Molecular Weight: 235.23383 [g/mol]
Molecular Formula: C6H14NNaO5S
Storage Temp.: store at RT.
Water Solubility: 0.35 g/mL, clear, colorless
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 7
Exact Mass: 235.049038
MonoIsotopic Mass: 235.049038
Topological Polar Surface Area: 101
Heavy Atom Count: 14
Canonical SMILES: C(CO)N(CCO)CCS(=O)(=O)[O-].[Na+]
InChI: InChI=1S/C6H15NO5S.Na/c8-4-1-7(2-5-9)3-6-13(10,11)12;/h8-9H,1-6H2,(H,10,11,12);/q;+1/p-1
InChIKey: CFQLQLSIZOWFNV-UHFFFAOYSA-M
Product Categories of N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt (CAS NO.66992-27-6): Pharmaceutical Intermediates
Safety Profile
Hazard Codes: 
F, 
Xn
Risk Statements: 10-15
R10:Flammable.
R15:Contact with water liberates extremely flammable gases.
Safety Statements: 22-24/25-43-7/8
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S7:Keep container tightly closed.
S8:Keep container dry.
WGK Germany: 3
Specification
N,N-Bis(2-hydroxyethyl)-2-aminoethanesulfonic acid sodium salt (CAS NO.66992-27-6) is also named as Ethanesulfonic acid, 2-[bis(2-hydroxyethyl)amino]-, sodium salt (1:1) ; Sodium 2-[bis(2-hydroxyethyl)amino]ethanesulfonate .