Back to Search
Tricine
CAS: 5704-04-1 | C6H13NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5704-04-1
Molecular Formula:
C6H13NO5
Molecular Mass:
179.17 g/mol
Names and Synonyms:
Tricine
Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-
N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]glycine
Tricine
N-[Tris(hydroxymethyl)methyl]glycine
NSC 369995
2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
Identifiers:
SMILES:
O=C(O)CNC(CO)(CO)CO
InChI:
InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
Key Properties
Melting Point
187 °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 | 179.17 g/mol | CAS Common Chemistry |
| 179.17199999999997 g/mol | RDKit | |
| 179.079372516 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tricine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNC(CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=SEQKRHFRPICQDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 187 °C | CAS Common Chemistry |
| Name | Tricine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 110.02000000000001 Ų | RDKit |
| LogP | -2.623699999999999 | RDKit |
| Molar Refractivity | 39.626900000000006 | RDKit |
