Back to Search
Molecule
Taps (Buffer)
CAS: 29915-38-6 · C7H17NO6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 29915-38-6
- Molecular Formula
- C7H17NO6S
- Molecular Mass
- 243.28 g/mol
Identifiers
CAS Registry Number
29915-38-6
SMILES
O=S(=O)(O)CCCNC(CO)(CO)CO
InChI Key
YNLCVAQJIKOXER-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
Names and Synonyms
- Taps (Buffer) Synonym
- 1-Propanesulfonic acid, 3-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]- Synonym
- 3-[[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-1-propanesulfonic acid Synonym
- Tris(hydroxymethyl)methylaminopropanesulfonic acid Synonym
- 3-[N-[Tris(hydroxymethyl)methyl]amino]-1-propanesulfonic acid Synonym
- TAPS (buffering agent) Synonym
- N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid Synonym
- TAPS Synonym
- NSC 610928 Synonym
- 3-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]azaniumyl]propane-1-sulfonate Synonym
- 3-[[Tris(hydroxymethyl)methyl]amino]propanesulfonic acid Synonym
- 3-((1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)amino)propane-1-sulfonic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.28 g/mol | CAS Common Chemistry |
| 243.28099999999998 g/mol | RDKit | |
| 243.281 g/mol | RDKit | |
| 243.274 g/mol | chempirical lib | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.18961 g/cm3 @ 25.00 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/TAPS_(buffer) | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O)CCCNC(CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=YNLCVAQJIKOXER-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-[Tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 127.09000000000002 Ų | RDKit |
| 127.09 Ų | RDKit | |
| LogP | -2.4303999999999983 | RDKit |
| -2.4304 | RDKit | |
| Molar Refractivity | 53.023700000000034 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 243.077658264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 243.28 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17NO6S.
