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Benzenesulfonamide, 4-(Aminomethyl)-, Hydrochloride (1:1)
CAS: 138-37-4 | C7H11ClN2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
138-37-4
Molecular Formula:
C7H11ClN2O2S
Molecular Mass:
222.70 g/mol
Names and Synonyms:
Benzenesulfonamide, 4-(Aminomethyl)-, Hydrochloride (1:1)
Benzenesulfonamide, 4-(aminomethyl)-, hydrochloride (1:1)
p-Toluenesulfonamide, α-amino-, monohydrochloride
Benzenesulfonamide, 4-(aminomethyl)-, monohydrochloride
p-Toluenesulfonamide, α-amino-, hydrochloride
p-(Aminomethyl)benzenesulfonamide hydrochloride
p-Aminomethylphenylsulfonamide hydrochloride
α-Amino-p-toluenesulfonamide hydrochloride
4-Homosulfanilamide hydrochloride
Mafenide hydrochloride
Sulfamylon hydrochloride
Homosulfamine
Marfanil
Homosulfanilamide hydrochloride
Homosulfamine hydrochloride
p-(Aminomethyl)benzenesulfonamide monohydrochloride
4-(Aminomethyl)benzene sulfonamide monohydrochloride
4-Aminosulfonylbenzylamine hydrochloride
(4-Sulfamoylphenyl)methanaminium chloride
Identifiers:
SMILES:
Cl.NCc1ccc(S(N)(=O)=O)cc1
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
Key Properties
Melting Point
256 °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 | 222.70 g/mol | CAS Common Chemistry |
| 222.69699999999997 g/mol | RDKit | |
| 222.022976272 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 52.95460000000001 | RDKit |
