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Molecule
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
- 61.873999999999995 g/mol
Identifiers
CAS Registry Number
25583-20-4
SMILES
[N].[Ti]
InChI Key
NRTOMJZYCJJWKI-UHFFFAOYSA-N
InChI
InChI=1S/N.Ti
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 3.00 g/cm³ | CAS Common Chemistry |
| 3.0 g/cm3 @ 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 | |
| Molecular Mass | 61.873999999999995 g/mol | RDKit |
| 61.951020299999996 g/mol | RDKit | |
| 61.874 g/mol | RDKit | |
| 66.914 g/mol | chempirical lib | |
| 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 |
| -0.4831 | RDKit | |
| Molar Refractivity | 2.134 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 61.87 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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
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MW = 61.87 g/mol; density = 3.000 g/mL. Edit any field — others recompute live.
