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Benzenecarboximidamide, 4-Hydroxy-, Hydrochloride (1:1)
CAS: 38148-63-9 | C7H9ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38148-63-9
Molecular Formula:
C7H9ClN2O
Molecular Mass:
172.62 g/mol
Names and Synonyms:
Benzenecarboximidamide, 4-Hydroxy-, Hydrochloride (1:1)
4-Amidinophenol hydrochloride
p-Hydroxybenzamidine monohydrochloride
p-Hydroxybenzamidine hydrochloride
4-Hydroxybenzamidine hydrochloride
4-Hydroxybenzimidamide hydrochloride
Benzenecarboximidamide, 4-hydroxy-, hydrochloride (1:1)
Benzenecarboximidamide, 4-hydroxy-, monohydrochloride
Identifiers:
SMILES:
Cl.N=C(N)c1ccc(O)cc1
InChI:
InChI=1S/C7H8N2O.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H,(H3,8,9);1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 | 172.62 g/mol | CAS Common Chemistry |
| 172.615 g/mol | RDKit | |
| 172.040340588 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H,(H3,8,9);1H | CAS Common Chemistry |
| InChI Key | InChIKey=VHVJRSVTZPYXEH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzenecarboximidamide, 4-hydroxy-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 70.10000000000001 Ų | RDKit |
| LogP | 1.0980699999999999 | RDKit |
| Molar Refractivity | 46.37090000000001 | RDKit |
