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Molecule
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
Identifiers
CAS Registry Number
140-50-1
SMILES
CC(O)=Nc1ccc(N=C(C)O)cc1
InChI Key
KVEDKKLZCJBVNP-UHFFFAOYSA-N
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)
Names and Synonyms
- N,N′-Diacetyl-P-Phenylenediamine Synonym
- Acetamide, N,N′-1,4-phenylenebis- Synonym
- Acetamide, N,N′-p-phenylenebis- Synonym
- N,N′-1,4-Phenylenebis[acetamide] Synonym
- p-Phenylenediacetamide Synonym
- N,N′-Diacetyl-p-phenylenediamine Synonym
- 1,4-Diacetamidobenzene Synonym
- 1,4-Bisacetamidobenzene Synonym
- 4′-Acetamidoacetanilide Synonym
- 1,4-Diacetylaminobenzene Synonym
- N,N′-Diacetyl-1,4-phenylenediamine Synonym
- NSC 401116 Synonym
- N-[4-(Acetylamino)phenyl]acetamide Synonym
- N,N′-(1,4-Phenylene)diacetamide Synonym
- 1,4-Bis(acetylamino)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 192.22 g/mol | CAS Common Chemistry |
| 192.218 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 |
| 2.9024 | RDKit | |
| Molar Refractivity | 57.23760000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 192.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
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MW = 192.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2O2.
