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Hydrazine, (3,5-Dimethylphenyl)-, Hydrochloride (1:1)
CAS: 60481-36-9 | C8H13ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60481-36-9
Molecular Formula:
C8H13ClN2
Molecular Mass:
172.66 g/mol
Names and Synonyms:
Hydrazine, (3,5-Dimethylphenyl)-, Hydrochloride (1:1)
Hydrazine, (3,5-dimethylphenyl)-, hydrochloride (1:1)
Hydrazine, (3,5-dimethylphenyl)-, monohydrochloride
(3,5-Dimethylphenyl)hydrazine hydrochloride
(3,5-Dimethylphenyl)hydrazine monohydrochloride
N-(3,5-Dimethylphenyl)hydrazine hydrochloride
Identifiers:
SMILES:
Cc1cc(C)cc(NN)c1.Cl
InChI:
InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;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 | 172.66 g/mol | CAS Common Chemistry |
| 172.65900000000002 g/mol | RDKit | |
| 172.076726096 g/mol | RDKit | |
| Canonical SMILES | Cl.NNC=1C=C(C=C(C1)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RSBQANBNDXZFIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (3,5-dimethylphenyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.0108399999999995 | RDKit |
| Molar Refractivity | 50.97410000000002 | RDKit |
