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Benzylhydrazine Dihydrochloride
CAS: 20570-96-1 | C7H12Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20570-96-1
Molecular Formula:
C7H12Cl2N2
Molecular Mass:
195.09 g/mol
Names and Synonyms:
Benzylhydrazine Dihydrochloride
Hydrazine, (phenylmethyl)-, hydrochloride (1:2)
Hydrazine, benzyl-, dihydrochloride
Hydrazine, (phenylmethyl)-, dihydrochloride
Benzylhydrazine dihydrochloride
N-Benzylhydrazine dihydrochloride
1-Benzylhydrazine dihydrochloride
Identifiers:
SMILES:
Cl.Cl.NNCc1ccccc1
InChI:
InChI=1S/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H
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 | 195.09 g/mol | CAS Common Chemistry |
| 195.09300000000005 g/mol | RDKit | |
| 194.03775374399999 g/mol | RDKit | |
| Canonical SMILES | Cl.NNCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=MSJHOJKVMMEMNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzylhydrazine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.4935 | RDKit |
| Molar Refractivity | 51.96510000000002 | RDKit |
