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N,N′-Diacetyl-P-Phenylenediamine
CAS: 140-50-1 | C10H12N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
140-50-1
Molecular Formula:
C10H12N2O2
Molecular Mass:
192.22 g/mol
Names and Synonyms:
N,N′-Diacetyl-P-Phenylenediamine
Acetamide, N,N′-1,4-phenylenebis-
Acetamide, N,N′-p-phenylenebis-
N,N′-1,4-Phenylenebis[acetamide]
p-Phenylenediacetamide
N,N′-Diacetyl-p-phenylenediamine
1,4-Diacetamidobenzene
1,4-Bisacetamidobenzene
4′-Acetamidoacetanilide
1,4-Diacetylaminobenzene
N,N′-Diacetyl-1,4-phenylenediamine
NSC 401116
N-[4-(Acetylamino)phenyl]acetamide
N,N′-(1,4-Phenylene)diacetamide
1,4-Bis(acetylamino)benzene
Identifiers:
SMILES:
CC(O)=Nc1ccc(N=C(C)O)cc1
InChI:
InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
Key Properties
Melting Point
204 °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 | 192.22 g/mol | CAS Common Chemistry |
| 192.218 g/mol | RDKit | |
| 192.089877624 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(C=C1)NC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=KVEDKKLZCJBVNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 204 °C | CAS Common Chemistry |
| Name | N,N′-Diacetyl-p-phenylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 2.902400000000001 | RDKit |
| Molar Refractivity | 57.23760000000003 | RDKit |
