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Molecule
Bis-Tris Methane
CAS: 6976-37-0 · C8H19NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6976-37-0
- Molecular Formula
- C8H19NO5
- Molecular Mass
- 209.24 g/mol
Identifiers
CAS Registry Number
6976-37-0
SMILES
OCCN(CCO)C(CO)(CO)CO
InChI Key
OWMVSZAMULFTJU-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
Names and Synonyms
- Bis-Tris Methane Common Name
- 1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)- Synonym
- 2-[Bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol Synonym
- 2,2-Bis(hydroxymethyl)-2,2′,2′′-nitrilotriethanol Synonym
- Bistris Synonym
- NSC 119932 Synonym
- NSC 24868 Synonym
- NuPage Bis-Tris Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.24 g/mol | CAS Common Chemistry |
| 209.24199999999996 g/mol | RDKit | |
| 209.242 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 |
| 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 |
| 104.39 Ų | RDKit | |
| 104.16 Ų | chempirical lib | |
| LogP | -3.011299999999998 | RDKit |
| -3.0113 | RDKit | |
| Molar Refractivity | 49.73300000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 209.126322708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 209.24 g/mol. Edit any field — others recompute live.
