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Molecule
Benzylhydrazine Dihydrochloride
CAS: 20570-96-1 · C7H12Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20570-96-1
- Molecular Formula
- C7H12Cl2N2
- Molecular Mass
- 195.09 g/mol
Identifiers
CAS Registry Number
20570-96-1
SMILES
Cl.Cl.NNCc1ccccc1
InChI Key
MSJHOJKVMMEMNX-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h1-5,9H,6,8H2;2*1H
Names and Synonyms
- Benzylhydrazine Dihydrochloride Synonym
- Hydrazine, (phenylmethyl)-, hydrochloride (1:2) Synonym
- Hydrazine, benzyl-, dihydrochloride Synonym
- Hydrazine, (phenylmethyl)-, dihydrochloride Synonym
- Benzylhydrazine dihydrochloride Synonym
- N-Benzylhydrazine dihydrochloride Synonym
- 1-Benzylhydrazine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 195.09 g/mol | CAS Common Chemistry |
| 195.09300000000005 g/mol | RDKit | |
| 195.093 g/mol | RDKit | |
| 195.087 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 194.03775374399999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
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.
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MW = 195.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H12Cl2N2.
