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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
Names and Synonyms:
Tris(Hydroxymethyl)Aminomethane Hydrochloride
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, hydrochloride (1:1)
1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, hydrochloride
Tris chloride
Tris hydrochloride
Tris(hydroxymethyl)aminomethane hydrochloride
Tromethamine hydrochloride
Trizma hydrochloride
2-Amino-2-(hydroxymethyl)-1,3-propanediol hydrochloride
Tri(hydroxymethyl)aminomethane hydrochloride
T 6666
Tris-hydrochloric acid
Tris-HCl
Identifiers:
SMILES:
Cl.NC(CO)(CO)CO
InChI:
InChI=1S/C4H11NO3.ClH/c5-4(1-6,2-7)3-8;/h6-8H,1-3,5H2;1H
Key Properties
Melting Point
150.0-150.8 °C
CAS Common Chemistry
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 | 157.60 g/mol | CAS Common Chemistry |
| 157.59699999999998 g/mol | RDKit | |
| 157.050570924 g/mol | RDKit | |
| 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 |
| LogP | -1.9174000000000002 | RDKit |
| Molar Refractivity | 35.4238 | RDKit |
