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Molecule
N,N-Dimethyl-P-Phenylenediamine Sulfate
CAS: 6219-73-4 · C8H14N2O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6219-73-4
- Molecular Formula
- C8H14N2O4S
- Molecular Mass
- 234.28 g/mol
Identifiers
CAS Registry Number
6219-73-4
SMILES
CN(C)c1ccc(N)cc1.O=S(=O)(O)O
InChI Key
GLUKPDKNLKRLHX-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
Names and Synonyms
- N,N-Dimethyl-P-Phenylenediamine Sulfate Synonym
- 1,4-Benzenediamine, N1,N1-dimethyl-, sulfate (1:?) Synonym
- p-Phenylenediamine, N,N-dimethyl-, sulfate Synonym
- 1,4-Benzenediamine, N,N-dimethyl-, sulfate Synonym
- C.I. 76076 Synonym
- BASF Ursol Grey DM Synonym
- BASF Ursol Grey DMG Synonym
- C.I. Oxidation Base 8A Synonym
- N,N-Dimethyl-p-phenylenediamine sulfate Synonym
- Durafur Grey N Synonym
- Fouramine Grey AL Synonym
- Fourrine 95 Synonym
- Fourrine Blue Grey R Synonym
- Furro AL Synonym
- Furro DMG Synonym
- Nako Grey DMS Synonym
- Renal Grey AL Synonym
- Ursol Grey DMG Synonym
- Zoba Grey BG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.28 g/mol | CAS Common Chemistry |
| 234.277 g/mol | RDKit | |
| 234.27 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)O.NC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=GLUKPDKNLKRLHX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethyl-p-phenylenediamine sulfate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 103.86 Ų | RDKit |
| LogP | 0.6820000000000004 | RDKit |
| 0.682 | RDKit | |
| Molar Refractivity | 59.358800000000016 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 234.067427928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 234.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14N2O4S.
