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N,N-Diphenylacetamide
CAS: 519-87-9 | C14H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
519-87-9
Molecular Formula:
C14H13NO
Molecular Mass:
211.26 g/mol
Names and Synonyms:
N,N-Diphenylacetamide
Acetamide, N,N-diphenyl-
N,N-Diphenylacetamide
N-Acetyldiphenylamine
Diphenylacetamide
N-Phenylacetanilide
Acetyldiphenylamine
NSC 3133
Identifiers:
SMILES:
CC(=O)N(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
Key Properties
Boiling Point
160-162 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
103 °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 | 211.26 g/mol | CAS Common Chemistry |
| 211.264 g/mol | RDKit | |
| 211.099714036 g/mol | RDKit | |
| Boiling Point | 160-162 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKLYDESVXZKCFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | N,N-Diphenylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 3.3712000000000018 | RDKit |
| Molar Refractivity | 65.70400000000004 | RDKit |
