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CAS No.: | 34730-59-1 |
---|---|
Name: | sodium 2-[(2-aminoethyl)amino]ethanesulphonate |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C4H12N2NaO3S |
Molecular Weight: | 190.199 |
Synonyms: | Ethanesulfonicacid, 2-[(2-aminoethyl)amino]-, monosodium salt (9CI);2-[(2-Aminoethyl)amino]ethanesulfonicacid sodium salt;EES 200L;N-(2-Aminoethyl)-2-aminoethanesulfonic acid sodiumsalt;N-(2-Sulfoethyl)ethylenediamine sodium salt;Sodium2-[(2-aminoethyl)amino]ethanesulfonate;Sodium5-amino-3-azapentane-1-sulfonate;Sodium N-(2-aminoethyl)aminoethanesulfonate;Vestamin A 95; |
EINECS: | 252-173-9 |
Density: | 1.238[at 20℃] |
Boiling Point: | 106℃[at 101 325 Pa] |
Solubility: | 500mg/L |
PSA: | 103.63000 |
LogP: | 0.25190 |
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This chemical is called Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1), and its systematic name is Ethanesulfonic acid, 2-[(2-aminoethyl)amino], sodium salt (1:1). With the molecular formula of C4H12N2NaO3S, its molecular weight is 190.20. The CAS registry number of this chemical is 34730-59-1.
Other characteristics of the Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1) can be summarised as followings: (1)ACD/LogP: -2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.15; (4)ACD/LogD (pH 7.4): -5.49; (5)ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5 #H bond donors: 4; (8)#Freely Rotating Bonds: 6 Polar Surface Area: 69.23 Å2.
You can still convert the following datas into molecular structure:
1.SMILES: [Na+].O=S(=O)([O-])CCNCCN
2.InChI: InChI=1/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);/q;+1/p-1
3.InChIKey: VRRABDXZDGRGPC-REWHXWOFAH