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Bis-Tris Methane
CAS: 6976-37-0 | C8H19NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6976-37-0
Molecular Formula:
C8H19NO5
Molecular Mass:
209.24 g/mol
Names and Synonyms:
Bis-Tris Methane
1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-
2-[Bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol
2,2-Bis(hydroxymethyl)-2,2′,2′′-nitrilotriethanol
Bistris
NSC 119932
NSC 24868
NuPage Bis-Tris
Identifiers:
SMILES:
OCCN(CCO)C(CO)(CO)CO
InChI:
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
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 | 209.24 g/mol | CAS Common Chemistry |
| 209.24199999999996 g/mol | RDKit | |
| 209.126322708 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bis-tris_methane | CAS Common Chemistry |
| Canonical SMILES | OCCN(CCO)C(CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OWMVSZAMULFTJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bistris | CAS Common Chemistry |
| Bis-tris methane | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 104.39000000000001 Ų | RDKit |
| LogP | -3.011299999999998 | RDKit |
| Molar Refractivity | 49.73300000000003 | RDKit |
