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N-Methyl-N-Phenylbenzenamine
CAS: 552-82-9 | C13H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
552-82-9
Molecular Formula:
C13H13N
Molecular Mass:
183.25 g/mol
Names and Synonyms:
N-Methyl-N-Phenylbenzenamine
Benzenamine, N-methyl-N-phenyl-
Diphenylamine, N-methyl-
N-Methyl-N-phenylbenzenamine
Diphenylmethylamine
Methyldiphenylamine
N,N-Diphenylmethylamine
N-Methyldiphenylamine
N-Methyl-N-phenylaniline
Diphenylaminomethane
NSC 3790
N-Methyl-N,N-diphenylamine
Identifiers:
SMILES:
CN(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
Key Properties
Boiling Point
293.5 °C
CAS Common Chemistry
Melting Point
-7.5 °C
CAS Common Chemistry
Density
1.06 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 | 183.25 g/mol | CAS Common Chemistry |
| 183.254 g/mol | RDKit | |
| 183.104799416 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.056 g/cm3 @ Temp: 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 |
| LogP | 3.454500000000002 | RDKit |
| Molar Refractivity | 60.94700000000004 | RDKit |
