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Molecule
Benzidamine Hydrochloride
CAS: 132-69-4 · C19H24ClN3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132-69-4
- Molecular Formula
- C19H24ClN3O
- Molecular Mass
- 345.87 g/mol
Identifiers
CAS Registry Number
132-69-4
SMILES
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl
InChI Key
HNNIWKQLJSNAEQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
Names and Synonyms
- Benzidamine Hydrochloride Common Name
- Afloben Synonym
- Imotryl Synonym
- 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, hydrochloride (1:1) Synonym
- 1H-Indazole, 1-benzyl-3-[3-(dimethylamino)propoxy]-, monohydrochloride Synonym
- 1-Propanamine, N,N-dimethyl-3-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-, monohydrochloride Synonym
- AF 864 Synonym
- Benzidamine hydrochloride Synonym
- Benzydamine hydrochloride Synonym
- 1-Benzyl-3-(3-dimethylaminopropoxy)-1H-indazole chloride Synonym
- 1-Benzyl-3-γ-dimethylaminopropoxy-1H-indazole hydrochloride Synonym
- 1-Benzyl-3-[3-(dimethylamino)propoxy]-1H-indazole hydrochloride Synonym
- Tantum Synonym
- Benzindamine hydrochloride Synonym
- Tamas Synonym
- Alcidol Synonym
- Algiflog Synonym
- Benalgin Synonym
- Benciflam Synonym
- Bendaminol Synonym
- Benflogin Synonym
- Difflam Synonym
- Saniflor Synonym
- Dorinamin Synonym
- Difflam Cream Synonym
- Ririlim Synonym
- Benzyrin Synonym
- Enzamin Synonym
- Riripen Synonym
- Verax Synonym
- Salyzoron Synonym
- Difflam Oral Rinse Synonym
- Andolex Synonym
- 3-((1-Benzyl-1H-indazol-3-yl)oxy)-N,N-dimethylpropan-1-amine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 345.87 g/mol | CAS Common Chemistry |
| 345.87399999999997 g/mol | RDKit | |
| 345.874 g/mol | RDKit | |
| 346.879 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=C(OCCCN(C)C)C=2C=CC=CC2N1CC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HNNIWKQLJSNAEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | Benzidamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 30.29 Ų | RDKit |
| LogP | 3.836900000000003 | RDKit |
| 3.8369 | RDKit | |
| 4.1 | chempirical lib | |
| Molar Refractivity | 101.19100000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3158 | RDKit |
| Exact Mass | 345.160790068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
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MW = 345.87 g/mol. Edit any field — others recompute live.
