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N,N-Dimethyl-P-Phenylenediamine Sulfate
CAS: 6219-73-4 | C8H14N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6219-73-4
Molecular Formula:
C8H14N2O4S
Molecular Mass:
234.28 g/mol
Names and Synonyms:
N,N-Dimethyl-P-Phenylenediamine Sulfate
1,4-Benzenediamine, N1,N1-dimethyl-, sulfate (1:?)
p-Phenylenediamine, N,N-dimethyl-, sulfate
1,4-Benzenediamine, N,N-dimethyl-, sulfate
C.I. 76076
BASF Ursol Grey DM
BASF Ursol Grey DMG
C.I. Oxidation Base 8A
N,N-Dimethyl-p-phenylenediamine sulfate
Durafur Grey N
Fouramine Grey AL
Fourrine 95
Fourrine Blue Grey R
Furro AL
Furro DMG
Nako Grey DMS
Renal Grey AL
Ursol Grey DMG
Zoba Grey BG
Identifiers:
SMILES:
CN(C)c1ccc(N)cc1.O=S(=O)(O)O
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)
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 | 234.28 g/mol | CAS Common Chemistry |
| 234.277 g/mol | RDKit | |
| 234.067427928 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 59.358800000000016 | RDKit |
