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1-Methyl-1-Phenylhydrazine
CAS: 618-40-6 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
618-40-6
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
1-Methyl-1-Phenylhydrazine
Hydrazine, 1-methyl-1-phenyl-
1-Methyl-1-phenylhydrazine
N-Methyl-N-phenylhydrazine
N-Phenyl-N-methylhydrazine
α-Methyl-α-phenylhydrazine
1-Methylphenylhydrazine
NSC 525518
Identifiers:
SMILES:
CN(N)c1ccccc1
InChI:
InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3
Key Properties
Boiling Point
228 °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 | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999995 g/mol | RDKit | |
| 122.08439831999999 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 |
| LogP | 0.9965 | RDKit |
| Molar Refractivity | 39.03240000000001 | RDKit |
