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Molecule
Bis(4-Methylphenyl)Amine
CAS: 620-93-9 · C14H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 620-93-9
- Molecular Formula
- C14H15N
- Molecular Mass
- 197.28 g/mol
Identifiers
CAS Registry Number
620-93-9
SMILES
Cc1ccc(Nc2ccc(C)cc2)cc1
InChI Key
RHPVVNRNAHRJOQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
Names and Synonyms
- Bis(4-Methylphenyl)Amine Synonym
- Benzenamine, 4-methyl-N-(4-methylphenyl)- Synonym
- Di-p-tolylamine Synonym
- 4-Methyl-N-(4-methylphenyl)benzenamine Synonym
- N-p-Tolyl-p-toluidine Synonym
- 4,4′-Dimethyldiphenylamine Synonym
- Bis(4-methylphenyl)amine Synonym
- N,N-Bis(4-methylphenyl)amine Synonym
- Bis(p-tolyl)amine Synonym
- N-p-Methylphenyl-4-methylaniline Synonym
- p,p′-Ditolylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.28 g/mol | CAS Common Chemistry |
| 197.281 g/mol | RDKit | |
| Boiling Point | 330.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1NC2=CC=C(C=C2)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H15N/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10,15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RHPVVNRNAHRJOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79.8 °C | CAS Common Chemistry |
| Name | Bis(4-methylphenyl)amine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.047040000000002 | RDKit |
| 4.047 | RDKit | |
| Molar Refractivity | 65.64070000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 197.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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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MW = 197.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15N.
