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(3-Methoxyphenyl)Hydrazine Hydrochloride
CAS: 39232-91-2 | C7H11ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39232-91-2
Molecular Formula:
C7H11ClN2O
Molecular Mass:
174.63 g/mol
Names and Synonyms:
(3-Methoxyphenyl)Hydrazine Hydrochloride
Hydrazine, (m-methoxyphenyl)-, hydrochloride
Hydrazine, (3-methoxyphenyl)-, hydrochloride (1:1)
Hydrazine, (3-methoxyphenyl)-, monohydrochloride
m-Methoxyphenylhydrazine hydrochloride
(3-Methoxyphenyl)hydrazine hydrochloride
[3-(Methyloxy)phenyl]hydrazine monohydrochloride
(3-Methoxyphenyl)hydrazine monohydrochloride
Identifiers:
SMILES:
COc1cccc(NN)c1.Cl
InChI:
InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H
Key Properties
Melting Point
140-141 °C
CAS Common Chemistry
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 | 174.63 g/mol | CAS Common Chemistry |
| 174.63100000000003 g/mol | RDKit | |
| 174.055990652 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C1=CC=CC(=C1)NN)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O.ClH/c1-10-7-4-2-3-6(5-7)9-8;/h2-5,9H,8H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=GMXFZBZOVZOYNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 140-141 °C | CAS Common Chemistry |
| Name | (3-Methoxyphenyl)hydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.28 Ų | RDKit |
| LogP | 1.4025999999999998 | RDKit |
| Molar Refractivity | 48.05210000000002 | RDKit |
