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Titanium Nitride
CAS: 25583-20-4 | NTi
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
25583-20-4
Molecular Formula:
NTi
Molecular Mass:
61.87 g/mol
Names and Synonyms:
Titanium Nitride
Titanium nitride (TiN)
Titanium mononitride
Titanium nitride
UFP
TiN-HP
Balanit A
Titanium(3+) nitride
ReactHeat Blue 2
TBX 02
Titanium nitride (Ti0.5N0.5)
Kaier 0824
TiN-01
MP 129
UF 8
7945HK
Identifiers:
SMILES:
[N].[Ti]
InChI:
InChI=1S/N.Ti
Key Properties
Density
3.00 g/cm³
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 | 61.87 g/mol | CAS Common Chemistry |
| 61.873999999999995 g/mol | RDKit | |
| 61.951020299999996 g/mol | RDKit | |
| Density | 3.00 g/cm³ | CAS Common Chemistry |
| 3.0 g/cm3 @ Temp: 240 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_nitride | CAS Common Chemistry |
| Canonical SMILES | N#[Ti] | CAS Common Chemistry |
| InChI | InChI=1S/N.Ti | CAS Common Chemistry |
| InChI Key | InChIKey=NRTOMJZYCJJWKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Titanium mononitride | CAS Common Chemistry |
| Titanium nitride | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.5 Ų | RDKit |
| LogP | -0.48310000000000003 | RDKit |
| Molar Refractivity | 2.134 | RDKit |
