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Molecule
Hydrazine, (2-Ethylphenyl)-, Hydrochloride (1:?)
CAS: 58711-02-7 · C8H13ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58711-02-7
- Molecular Formula
- C8H13ClN2
- Molecular Mass
- 172.66 g/mol
Identifiers
CAS Registry Number
58711-02-7
SMILES
CCc1ccccc1NN.Cl
InChI Key
HBHPTOKYVGZBAJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.ClH/c1-2-7-5-3-4-6-8(7)10-9;/h3-6,10H,2,9H2,1H3;1H
Names and Synonyms
- Hydrazine, (2-Ethylphenyl)-, Hydrochloride (1:?) Systematic Name
- Hydrazine, (2-ethylphenyl)-, hydrochloride (1:?) Synonym
- Hydrazine, (2-ethylphenyl)-, hydrochloride Synonym
- (2-Ethylphenyl)hydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.66 g/mol | CAS Common Chemistry |
| 172.65899999999996 g/mol | RDKit | |
| 172.659 g/mol | RDKit | |
| 172.656 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NNC=1C=CC=CC1CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.ClH/c1-2-7-5-3-4-6-8(7)10-9;/h3-6,10H,2,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HBHPTOKYVGZBAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hydrazine, (2-ethylphenyl)-, hydrochloride (1:?) | 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 | 1.9564 | RDKit |
| 2.15 | chempirical lib | |
| Molar Refractivity | 50.87810000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 172.076726096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 172.66 g/mol. Edit any field — others recompute live.
Related
Related molecules
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