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Benzenamine, 4-Methoxy-, Hydrochloride (1:1)
CAS: 20265-97-8 | C7H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20265-97-8
Molecular Formula:
C7H10ClNO
Molecular Mass:
159.62 g/mol
Names and Synonyms:
Benzenamine, 4-Methoxy-, Hydrochloride (1:1)
Benzenamine, 4-methoxy-, hydrochloride (1:1)
p-Anisidine, hydrochloride
Benzenamine, 4-methoxy-, hydrochloride
p-Anisidine monohydrochloride
4-Methoxyaniline hydrochloride
p-Methoxyaniline hydrochloride
p-Methoxyanilinium chloride
4-Methoxybenzenamine hydrochloride
Identifiers:
SMILES:
COc1ccc(N)cc1.Cl
InChI:
InChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
Key Properties
Melting Point
185-186 °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 | 159.62 g/mol | CAS Common Chemistry |
| 159.616 g/mol | RDKit | |
| 159.04509162 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C1=CC=C(N)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VQYJLACQFYZHCO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-186 °C | CAS Common Chemistry |
| Name | Benzenamine, 4-methoxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 1.6991999999999998 | RDKit |
| Molar Refractivity | 44.65440000000002 | RDKit |
