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Acetylphenylhydrazine
CAS: 114-83-0 | C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
114-83-0
Molecular Formula:
C8H10N2O
Molecular Mass:
150.18 g/mol
Names and Synonyms:
Acetylphenylhydrazine
Acetic acid, 2-phenylhydrazide
1-Acetyl-2-phenylhydrazine
APH
Hydracetin
Pyrodin
Pyrodine
Acetylphenylhydrazine
β-Acetylphenylhydrazine
N-Acetyl-N′-phenylhydrazine
N′-Phenylacethydrazide
1-Phenyl-2-acetylhydrazine
Acetic acid phenylhydrazone
NSC 2064
NSC 229032
NSC 2847
N-(Phenylamino)acetamide
N′-Phenylacetohydrazide
Identifiers:
SMILES:
CC(O)=NNc1ccccc1
InChI:
InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)
Key Properties
Melting Point
131 °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 | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.07931294 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 |
| LogP | 1.9898999999999998 | RDKit |
| Molar Refractivity | 45.80250000000002 | RDKit |
