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Diphenylformamide
CAS: 607-00-1 | C13H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
607-00-1
Molecular Formula:
C13H11NO
Molecular Mass:
197.24 g/mol
Names and Synonyms:
Diphenylformamide
Formamide, N,N-diphenyl-
N,N-Diphenylformamide
Diphenylformamide
N-Phenylformanilide
NSC 3864
N-Formyldiphenylamine
Identifiers:
SMILES:
O=CN(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
Key Properties
Boiling Point
337.5 °C
CAS Common Chemistry
Melting Point
73.5 °C
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 | 197.24 g/mol | CAS Common Chemistry |
| 197.237 g/mol | RDKit | |
| 197.084063972 g/mol | RDKit | |
| Boiling Point | 337.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CN(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H | CAS Common Chemistry |
| InChI Key | InChIKey=DCNUQRBLZWSGAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 73.5 °C | CAS Common Chemistry |
| Name | Diphenylformamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 2.9811000000000014 | RDKit |
| Molar Refractivity | 61.08700000000004 | RDKit |
