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Molecule
Triphenylamine
CAS: 603-34-9 · C18H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 603-34-9
- Molecular Formula
- C18H15N
- Molecular Mass
- 245.33 g/mol
Identifiers
CAS Registry Number
603-34-9
SMILES
c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChI Key
ODHXBMXNKOYIBV-UHFFFAOYSA-N
InChI
InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Names and Synonyms
- Triphenylamine Synonym
- Benzenamine, N,N-diphenyl- Synonym
- Triphenylamine Synonym
- N,N-Diphenylbenzenamine Synonym
- N,N-Diphenylaniline Synonym
- NSC 66458 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.33 g/mol | CAS Common Chemistry |
| 245.32500000000002 g/mol | RDKit | |
| 245.325 g/mol | RDKit | |
| Density | 0.77 g/cm³ | CAS Common Chemistry |
| 0.774 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenylamine | CAS Common Chemistry |
| Boiling Point | 365 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=ODHXBMXNKOYIBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127 °C | CAS Common Chemistry |
| Name | Triphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 5.156400000000003 | RDKit |
| 5.1564 | RDKit | |
| Molar Refractivity | 81.12500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 245.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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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Quick conversion
MW = 245.33 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.
