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Molecule
N-Methyl-N-Phenylbenzenamine
CAS: 552-82-9 · C13H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 552-82-9
- Molecular Formula
- C13H13N
- Molecular Mass
- 183.25 g/mol
Identifiers
CAS Registry Number
552-82-9
SMILES
CN(c1ccccc1)c1ccccc1
InChI Key
DYFFAVRFJWYYQO-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
Names and Synonyms
- N-Methyl-N-Phenylbenzenamine Common Name
- Benzenamine, N-methyl-N-phenyl- Synonym
- Diphenylamine, N-methyl- Synonym
- N-Methyl-N-phenylbenzenamine Synonym
- Diphenylmethylamine Synonym
- Methyldiphenylamine Synonym
- N,N-Diphenylmethylamine Synonym
- N-Methyldiphenylamine Synonym
- N-Methyl-N-phenylaniline Synonym
- Diphenylaminomethane Synonym
- NSC 3790 Synonym
- N-Methyl-N,N-diphenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.25 g/mol | CAS Common Chemistry |
| 183.254 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.056 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Boiling Point | 293.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DYFFAVRFJWYYQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.5 °C | CAS Common Chemistry |
| Name | N-Methyl-N-phenylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 3.454500000000002 | RDKit |
| 3.4545 | RDKit | |
| Molar Refractivity | 60.94700000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 183.104799416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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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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Quick conversion
MW = 183.25 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H13N.
