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Molecule
Benzenecarboximidamide, 4-Hydroxy-, Hydrochloride (1:1)
CAS: 38148-63-9 · C7H9ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38148-63-9
- Molecular Formula
- C7H9ClN2O
- Molecular Mass
- 172.62 g/mol
Identifiers
CAS Registry Number
38148-63-9
SMILES
Cl.N=C(N)c1ccc(O)cc1
InChI Key
VHVJRSVTZPYXEH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.ClH/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,10H,(H3,8,9);1H
Names and Synonyms
- Benzenecarboximidamide, 4-Hydroxy-, Hydrochloride (1:1) Synonym
- 4-Amidinophenol hydrochloride Synonym
- p-Hydroxybenzamidine monohydrochloride Synonym
- p-Hydroxybenzamidine hydrochloride Synonym
- 4-Hydroxybenzamidine hydrochloride Synonym
- 4-Hydroxybenzimidamide hydrochloride Synonym
- Benzenecarboximidamide, 4-hydroxy-, hydrochloride (1:1) Synonym
- Benzenecarboximidamide, 4-hydroxy-, monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.62 g/mol | CAS Common Chemistry |
| 172.615 g/mol | RDKit | |
| 172.612 g/mol | chempirical lib | |
| 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 |
| 70.1 Ų | RDKit | |
| LogP | 1.0980699999999999 | RDKit |
| 1.0981 | RDKit | |
| 1.17 | chempirical lib | |
| Molar Refractivity | 46.37090000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 172.040340588 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 172.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9ClN2O.
