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Hydrazine, (2,3-Dimethylphenyl)-, Hydrochloride, Hydrate (1:1:?)
CAS: 123333-92-6 | C8H15ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123333-92-6
Molecular Formula:
C8H15ClN2O
Molecular Mass:
190.67 g/mol
Names and Synonyms:
Hydrazine, (2,3-Dimethylphenyl)-, Hydrochloride, Hydrate (1:1:?)
Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?)
Hydrazine, (2,3-dimethylphenyl)-, monohydrochloride, hydrate
Identifiers:
SMILES:
Cc1cccc(NN)c1C.Cl.O
InChI:
InChI=1S/C8H12N2.ClH.H2O/c1-6-4-3-5-8(10-9)7(6)2;;/h3-5,10H,9H2,1-2H3;1H;1H2
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 | 190.67 g/mol | CAS Common Chemistry |
| 190.674 g/mol | RDKit | |
| 190.08729078 g/mol | RDKit | |
| Canonical SMILES | Cl.O.NNC1=CC=CC(=C1C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.ClH.H2O/c1-6-4-3-5-8(10-9)7(6)2;;/h3-5,10H,9H2,1-2H3;1H;1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CWLHVQVBNFKKSG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.55 Ų | RDKit |
| LogP | 1.1861399999999998 | RDKit |
| Molar Refractivity | 54.58790000000002 | RDKit |
