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Molecule
Benzenesulfonamide, 4-(Aminomethyl)-, Hydrochloride (1:1)
CAS: 138-37-4 · C7H11ClN2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 138-37-4
- Molecular Formula
- C7H11ClN2O2S
- Molecular Mass
- 222.70 g/mol
Identifiers
CAS Registry Number
138-37-4
SMILES
Cl.NCc1ccc(S(N)(=O)=O)cc1
InChI Key
SIACJRVYIPXFKS-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O2S.ClH/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H
Names and Synonyms
- Benzenesulfonamide, 4-(Aminomethyl)-, Hydrochloride (1:1) Synonym
- Benzenesulfonamide, 4-(aminomethyl)-, hydrochloride (1:1) Synonym
- p-Toluenesulfonamide, α-amino-, monohydrochloride Synonym
- Benzenesulfonamide, 4-(aminomethyl)-, monohydrochloride Synonym
- p-Toluenesulfonamide, α-amino-, hydrochloride Synonym
- p-(Aminomethyl)benzenesulfonamide hydrochloride Synonym
- p-Aminomethylphenylsulfonamide hydrochloride Synonym
- α-Amino-p-toluenesulfonamide hydrochloride Synonym
- 4-Homosulfanilamide hydrochloride Synonym
- Mafenide hydrochloride Synonym
- Sulfamylon hydrochloride Synonym
- Homosulfamine Synonym
- Marfanil Synonym
- Homosulfanilamide hydrochloride Synonym
- Homosulfamine hydrochloride Synonym
- p-(Aminomethyl)benzenesulfonamide monohydrochloride Synonym
- 4-(Aminomethyl)benzene sulfonamide monohydrochloride Synonym
- 4-Aminosulfonylbenzylamine hydrochloride Synonym
- (4-Sulfamoylphenyl)methanaminium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.70 g/mol | CAS Common Chemistry |
| 222.69699999999997 g/mol | RDKit | |
| 222.697 g/mol | RDKit | |
| 222.687 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=S(=O)(N)C1=CC=C(C=C1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O2S.ClH/c8-5-6-1-3-7(4-2-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H | CAS Common Chemistry |
| InChI Key | InChIKey=SIACJRVYIPXFKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 256 °C | CAS Common Chemistry |
| Name | Benzenesulfonamide, 4-(aminomethyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 0.2144999999999998 | RDKit |
| 0.2145 | RDKit | |
| Molar Refractivity | 52.95460000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 222.022976272 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 222.70 g/mol. Edit any field — others recompute live.
