Back to Search
Ethanesulfonic Acid, 2-[(2-Aminoethyl)Amino]-, Sodium Salt (1:1)
CAS: 34730-59-1 | C4H12N2NaO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34730-59-1
Molecular Formula:
C4H12N2NaO3S
Molecular Mass:
191.21 g/mol
Names and Synonyms:
Ethanesulfonic Acid, 2-[(2-Aminoethyl)Amino]-, Sodium Salt (1:1)
Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1)
Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, monosodium salt
Sodium 5-amino-3-azapentane-1-sulfonate
Sodium N-(2-aminoethyl)aminoethanesulfonate
Sodium 2-[(2-aminoethyl)amino]ethanesulfonate
N-(2-Sulfoethyl)ethylenediamine sodium salt
2-[(2-Aminoethyl)amino]ethanesulfonic acid sodium salt
EES 200L
N-(2-Aminoethyl)-2-aminoethanesulfonic acid sodium salt
Vestamin A 95
A 95
N 60
Evonik A 95
Sodium N-(2-aminoethyl)-2-aminoethanesulfonate
AAS
A 950
Ethanesulfonic acid, sodium salt, compd. with 1,2-ethanediamine (1:1:1)
Identifiers:
SMILES:
NCCNCCS(=O)(=O)O.[Na]
InChI:
InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.21 g/mol | CAS Common Chemistry |
| 191.208 g/mol | RDKit | |
| 191.046632524 g/mol | RDKit | |
| Canonical SMILES | [Na].O=S(=O)(O)CCNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H12N2O3S.Na/c5-1-2-6-3-4-10(7,8)9;/h6H,1-5H2,(H,7,8,9); | CAS Common Chemistry |
| InChI Key | InChIKey=ROZLDLJVUNEAFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethanesulfonic acid, 2-[(2-aminoethyl)amino]-, sodium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.42 Ų | RDKit |
| LogP | -1.9582999999999986 | RDKit |
| Molar Refractivity | 44.09370000000002 | RDKit |
