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Molecule
(2-Phenylacetyl)Hydrazine
CAS: 937-39-3 · C8H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 937-39-3
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
937-39-3
SMILES
NN=C(O)Cc1ccccc1
InChI Key
FPTCVTJCJMVIDV-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
Names and Synonyms
- (2-Phenylacetyl)Hydrazine Synonym
- Benzeneacetic acid, hydrazide Synonym
- 2-Phenylacetic hydrazide Synonym
- Acetic acid, phenyl-, hydrazide Synonym
- Phenylacetic acid hydrazide Synonym
- (2-Phenylacetyl)hydrazine Synonym
- Phenacetic acid hydrazide Synonym
- Phenylacetylhydrazine Synonym
- Phenylacetyl hydrazide Synonym
- Phenylacetic hydrazide Synonym
- Phenyl acetohydrazide Synonym
- 2-Phenylacetohydrazide Synonym
- NSC 151437 Synonym
- INHd 30 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(NN)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=FPTCVTJCJMVIDV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 116-117 °C | CAS Common Chemistry |
| Name | (2-Phenylacetyl)hydrazine | 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 | 58.61 Ų | RDKit |
| LogP | 1.0593 | RDKit |
| Molar Refractivity | 44.39720000000001 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.
