Back to Search
Molecule
Tris(Hydroxymethyl)Aminomethane Hydrochloride
CAS: 1185-53-1 · C4H12ClNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1185-53-1
- Molecular Formula
- C4H12ClNO3
- Molecular Mass
- 157.60 g/mol
Identifiers
CAS Registry Number
1185-53-1
SMILES
Cl.NC(CO)(CO)CO
InChI Key
QKNYBSVHEMOAJP-UHFFFAOYSA-N
InChI
InChI=1S/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H
Names and Synonyms
- Tris(Hydroxymethyl)Aminomethane Hydrochloride Synonym
- 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, hydrochloride (1:1) Synonym
- 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, hydrochloride Synonym
- Tris chloride Synonym
- Tris hydrochloride Synonym
- Tris(hydroxymethyl)aminomethane hydrochloride Synonym
- Tromethamine hydrochloride Synonym
- Trizma hydrochloride Synonym
- 2-Amino-2-(hydroxymethyl)-1,3-propanediol hydrochloride Synonym
- Tri(hydroxymethyl)aminomethane hydrochloride Synonym
- T 6666 Synonym
- Tris-hydrochloric acid Synonym
- Tris-HCl Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.60 g/mol | CAS Common Chemistry |
| 157.59699999999998 g/mol | RDKit | |
| 157.597 g/mol | RDKit | |
| 157.594 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OCC(N)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=QKNYBSVHEMOAJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 150.0-150.8 °C | CAS Common Chemistry |
| Name | Tris(hydroxymethyl)aminomethane hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 86.71000000000001 Ų | RDKit |
| 86.71 Ų | RDKit | |
| LogP | -1.9174000000000002 | RDKit |
| -1.9174 | RDKit | |
| Molar Refractivity | 35.4238 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 157.050570924 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 = 157.60 g/mol. Edit any field — others recompute live.
