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Molecule
Hydrazine, (2,3-Dimethylphenyl)-, Hydrochloride, Hydrate (1:1:?)
CAS: 123333-92-6 · C8H15ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123333-92-6
- Molecular Formula
- C8H15ClN2O
- Molecular Mass
- 190.67 g/mol
Identifiers
CAS Registry Number
123333-92-6
SMILES
Cc1cccc(NN)c1C.Cl.O
InChI Key
CWLHVQVBNFKKSG-UHFFFAOYSA-N
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
Names and Synonyms
- Hydrazine, (2,3-Dimethylphenyl)-, Hydrochloride, Hydrate (1:1:?) Systematic Name
- Hydrazine, (2,3-dimethylphenyl)-, hydrochloride, hydrate (1:1:?) Synonym
- Hydrazine, (2,3-dimethylphenyl)-, monohydrochloride, hydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.67 g/mol | CAS Common Chemistry |
| 190.674 g/mol | RDKit | |
| 190.671 g/mol | chempirical lib | |
| 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 |
| 1.1861 | RDKit | |
| Molar Refractivity | 54.58790000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 190.08729078 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 190.67 g/mol. Edit any field — others recompute live.
