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(Phenylmethyl)Hydrazine
CAS: 555-96-4 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
555-96-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.17099999999995 g/mol
Names and Synonyms:
(Phenylmethyl)Hydrazine
1-Benzylhydrazine
N-Benzylhydrazine
Benzyl hydrazide
Benzylhydrazine
(Phenylmethyl)hydrazine
Hydrazine, benzyl-
Hydrazine, (phenylmethyl)-
Identifiers:
SMILES:
NNCc1ccccc1
InChI:
InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.17099999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6498999999999996 | RDKit |
| molecular_mass | 122.17 g/mol | Legacy Database |
| cas-boiling-point | 110-115 °C @ Press: 0.3 Torr None | Legacy Database |
| cas-canonical-smile | NNCC=1C=CC=CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=NHOWLEZFTHYCTP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 112 °C None | Legacy Database |
| cas-name | (Phenylmethyl)hydrazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.46910000000002 | RDKit |
