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Titanium Nitride
CAS: 25583-20-4 | NTi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25583-20-4
Molecular Formula:
NTi
Molecular Weight:
61.873999999999995 g/mol
Names and Synonyms:
Titanium Nitride
Synonym
Titanium nitride (TiN)
Synonym
Titanium mononitride
Synonym
Titanium nitride
Synonym
UFP
Synonym
TiN-HP
Synonym
Balanit A
Synonym
Titanium(3+) nitride
Synonym
ReactHeat Blue 2
Synonym
TBX 02
Synonym
Titanium nitride (Ti0.5N0.5)
Synonym
Kaier 0824
Synonym
TiN-01
Synonym
MP 129
Synonym
UF 8
Synonym
7945HK
Synonym
Identifiers:
SMILES:
[N].[Ti]
InChI:
InChI=1S/N.Ti
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| wikipedia-name | Titanium nitride None | Legacy Database |
| LogP | -0.48310000000000003 | RDKit |
| molecular_mass | 61.87 g/mol | Legacy Database |
| density | 3.00 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium_nitride None | Legacy Database |
| cas-canonical-smile | N#[Ti] None | Legacy Database |
| cas-density | 3.0 g/cm3 @ Temp: 240 °C None | Legacy Database |
| cas-inchi | InChI=1S/N.Ti None | Legacy Database |
| cas-inchi-key | InChIKey=NRTOMJZYCJJWKI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Titanium mononitride None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 61.873999999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 61.951020299999996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 30.5 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 2.134 | RDKit |