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Molecule
N-Ethyl-N-(2-Hydroxyethyl)-P-Phenylenediamine Sulfate
CAS: 4327-84-8 · C10H18N2O5S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4327-84-8
- Molecular Formula
- C10H18N2O5S
- Molecular Mass
- 278.33 g/mol
Identifiers
CAS Registry Number
4327-84-8
SMILES
CCN(CCO)c1ccc(N)cc1.O=S(=O)(O)O
InChI Key
KAJALVWKFPQZOO-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)
Names and Synonyms
- N-Ethyl-N-(2-Hydroxyethyl)-P-Phenylenediamine Sulfate Synonym
- Ethanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1) Synonym
- Ethanol, 2-(p-amino-N-ethylanilino)-, sulfate (1:1) (salt) Synonym
- Ethanol, 2-[(4-aminophenyl)ethylamino]-, sulfate (1:1) (salt) Synonym
- Droxychrome Synonym
- 4-Amino-N-ethyl-N-(β-hydroxyethyl)aniline sulfate Synonym
- N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate Synonym
- T 32 Synonym
- T 32 (salt) Synonym
- 2-[(4-Aminophenyl)(ethyl)amino]ethan-1-ol; sulfuric acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.33 g/mol | CAS Common Chemistry |
| 278.323 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(O)O.OCCN(C1=CC=C(N)C=C1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=KAJALVWKFPQZOO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 124.09 Ų | RDKit |
| LogP | 0.43460000000000026 | RDKit |
| 0.4346 | RDKit | |
| Molar Refractivity | 70.00460000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 278.093642676 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 278.33 g/mol. Edit any field — others recompute live.
