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Molecule
(Phenylmethyl)Hydrazine
CAS: 555-96-4 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 555-96-4
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
555-96-4
SMILES
NNCc1ccccc1
InChI Key
NHOWLEZFTHYCTP-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
Names and Synonyms
- (Phenylmethyl)Hydrazine Common Name
- Hydrazine, (phenylmethyl)- Synonym
- Hydrazine, benzyl- Synonym
- (Phenylmethyl)hydrazine Synonym
- Benzylhydrazine Synonym
- Benzyl hydrazide Synonym
- N-Benzylhydrazine Synonym
- 1-Benzylhydrazine 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 | |
| Canonical SMILES | NNCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NHOWLEZFTHYCTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 112 °C | CAS Common Chemistry |
| Name | (Phenylmethyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.6498999999999996 | RDKit |
| 0.6499 | RDKit | |
| Molar Refractivity | 37.46910000000002 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 |
| Boiling Point | 110-115 °C @ 0.3 Torr | CAS Common Chemistry |
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.
