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Molecule
1-Phenyl-1-(Phenylmethyl)Hydrazine
CAS: 614-31-3 · C13H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 614-31-3
- Molecular Formula
- C13H14N2
- Molecular Mass
- 198.27 g/mol
Identifiers
CAS Registry Number
614-31-3
SMILES
NN(Cc1ccccc1)c1ccccc1
InChI Key
SQMOOVFBFVTTGF-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2
Names and Synonyms
- 1-Phenyl-1-(Phenylmethyl)Hydrazine Systematic Name
- Hydrazine, 1-phenyl-1-(phenylmethyl)- Synonym
- Hydrazine, 1-benzyl-1-phenyl- Synonym
- 1-Phenyl-1-(phenylmethyl)hydrazine Synonym
- α-Benzylphenylhydrazine Synonym
- 1-Benzyl-1-phenylhydrazine Synonym
- 1-Benzylphenylhydrazine Synonym
- N-Benzyl-N-phenylhydrazine Synonym
- NSC 7145 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.27 g/mol | CAS Common Chemistry |
| 198.26899999999998 g/mol | RDKit | |
| 198.269 g/mol | RDKit | |
| Canonical SMILES | NN(C=1C=CC=CC1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N2/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SQMOOVFBFVTTGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 164-166 °C | CAS Common Chemistry |
| Name | 1-Phenyl-1-(phenylmethyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 2.5669000000000004 | RDKit |
| 2.5669 | RDKit | |
| Molar Refractivity | 63.25440000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 198.115698448 g/mol | RDKit |
| Boiling Point | 124-127 °C @ 0.55 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 198.27 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H14N2.
