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Molecule
1-Methyl-1-Phenylhydrazine
CAS: 618-40-6 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 618-40-6
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
618-40-6
SMILES
CN(N)c1ccccc1
InChI Key
MWOODERJGVWYJE-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
Names and Synonyms
- 1-Methyl-1-Phenylhydrazine Synonym
- Hydrazine, 1-methyl-1-phenyl- Synonym
- 1-Methyl-1-phenylhydrazine Synonym
- N-Methyl-N-phenylhydrazine Synonym
- N-Phenyl-N-methylhydrazine Synonym
- α-Methyl-α-phenylhydrazine Synonym
- 1-Methylphenylhydrazine Synonym
- NSC 525518 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999995 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Boiling Point | 228 °C | CAS Common Chemistry |
| Canonical SMILES | NN(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MWOODERJGVWYJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methyl-1-phenylhydrazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.9965 | RDKit |
| 0.94 | chempirical lib | |
| Molar Refractivity | 39.03240000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 122.08439831999999 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 = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
