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3-Amino-N,N-Diethyl-4-Methoxybenzenesulfonamide
CAS: 97-35-8 | C11H18N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
97-35-8
Molecular Formula:
C11H18N2O3S
Molecular Mass:
258.34 g/mol
Names and Synonyms:
3-Amino-N,N-Diethyl-4-Methoxybenzenesulfonamide
Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Metanilamide, N1,N1-diethyl-4-methoxy-
3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide
C.I. 37150
Brentamine Fast Red ITR Base
Fast Red ITR Base
Orle Base Fast Red ITR
2-Methoxy-5-(diethylaminosulfonyl)aniline
Red ITR base
Fast Red ITR
2-Methoxy-5-(diethylsulfamoyl)aniline
2-Methoxy-5-(N,N-diethylsulfamoyl)aniline
3-Amino-1-[(diethylamino)sulfonyl]-4-methoxybenzene
NSC 50670
2-Methoxy-5-(N,N-diethyl)sulfanilamide-aniline
N,N-Diethyl-3-amino-4-methoxybenzenesulfonamide
3-Amino-N,N-diethyl-4-methoxybenzene-1-sulfonamide
Identifiers:
SMILES:
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1
InChI:
InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
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 |
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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 | 258.34 g/mol | CAS Common Chemistry |
| 258.34299999999996 g/mol | RDKit | |
| 258.103813436 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C1=CC=C(OC)C(N)=C1)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WBGVVXSCGNGJFL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 72.63 Ų | RDKit |
| LogP | 1.3078999999999998 | RDKit |
| Molar Refractivity | 67.51320000000004 | RDKit |
