Back to Search
Molecule
3,3′-Diaminodiphenyl Sulfone
CAS: 599-61-1 · C12H12N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 599-61-1
- Molecular Formula
- C12H12N2O2S
- Molecular Mass
- 248.31 g/mol
Identifiers
CAS Registry Number
599-61-1
SMILES
Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
InChI Key
LJGHYPLBDBRCRZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2
Names and Synonyms
- 3,3′-Diaminodiphenyl Sulfone Synonym
- Benzenamine, 3,3′-sulfonylbis- Synonym
- Aniline, 3,3′-sulfonyldi- Synonym
- 3,3′-Sulfonylbis[benzenamine] Synonym
- 3,3′-Diaminodiphenyl sulfone Synonym
- Bis(m-aminophenyl) sulfone Synonym
- 3,3′-Diaminophenyl sulfone Synonym
- Bis(3-aminophenyl) sulfone Synonym
- 3,3′-Sulfonyldianiline Synonym
- 3,3′-Sulfonylbis(aniline) Synonym
- DAS (crosslinking agent) Synonym
- DAS Synonym
- HT 9719 Synonym
- C 600 (hardener) Synonym
- C 600 Synonym
- NSC 20610 Synonym
- Aradur 9719-1 Synonym
- 3,3′-DDS Synonym
- 3,3′-DAS Synonym
- Omicure 33DDS Synonym
- C 10 Synonym
- C 10 (hardener) Synonym
- Aradur 9771-1 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.31 g/mol | CAS Common Chemistry |
| 248.30700000000002 g/mol | RDKit | |
| 248.307 g/mol | RDKit | |
| 248.3 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(C=1C=CC=C(N)C1)C=2C=CC=C(N)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O2S/c13-9-3-1-5-11(7-9)17(15,16)12-6-2-4-10(14)8-12/h1-8H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LJGHYPLBDBRCRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | 3,3′-Diaminodiphenyl sulfone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.18 Ų | RDKit |
| LogP | 1.6838000000000002 | RDKit |
| 1.6838 | RDKit | |
| 1.6 | chempirical lib | |
| Molar Refractivity | 67.16060000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 248.061948624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 248.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2O2S.
