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Molecule
Acetylphenylhydrazine
CAS: 114-83-0 · C8H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 114-83-0
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
114-83-0
SMILES
CC(O)=NNc1ccccc1
InChI Key
UICBCXONCUFSOI-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)
Names and Synonyms
- Acetylphenylhydrazine Common Name
- Acetic acid, 2-phenylhydrazide Synonym
- 1-Acetyl-2-phenylhydrazine Synonym
- APH Synonym
- Hydracetin Synonym
- Pyrodin Synonym
- Pyrodine Synonym
- Acetylphenylhydrazine Synonym
- β-Acetylphenylhydrazine Synonym
- N-Acetyl-N′-phenylhydrazine Synonym
- N′-Phenylacethydrazide Synonym
- 1-Phenyl-2-acetylhydrazine Synonym
- Acetic acid phenylhydrazone Synonym
- NSC 2064 Synonym
- NSC 229032 Synonym
- NSC 2847 Synonym
- N-(Phenylamino)acetamide Synonym
- N′-Phenylacetohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Canonical SMILES | O=C(NNC=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=UICBCXONCUFSOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | Acetylphenylhydrazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| 44.62 Ų | RDKit | |
| LogP | 1.9898999999999998 | RDKit |
| 1.9899 | RDKit | |
| Molar Refractivity | 45.80250000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
