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N⁴-Ethyl-N⁴-(2-hydroxyethyl)-2-methyl-1,4-phenylenediamine sulfate salt - suitable for photographic applications, high purity , CAS No.25646-77-9
Basic Description
Synonyms
C11H20N2O5S | Q30161489 | AC-8318 | AKOS015890578 | PPD 4 4 | Ethanol, 2-((4-amino-3-methylphenyl)ethylamino)-, sulfate (1:?) | PIM1-IN-2 | PPD 44 | N-ethyl-N-hydroxyethyl-3-methyl-1,4-phenylenediamine sulfate | 4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenyl
Specifications & Purity
suitable for photographic applications
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Aminotoluenes
Direct Parent
Diaminotoluenes
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Organic sulfuric acids 1,2-aminoalcohols Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diaminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Sulfuric acid - Organic sulfuric acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid
INCHI
InChI=1S/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)
InChIKey
GVEYRUKUJCHJSR-UHFFFAOYSA-N
Smiles
CCN(CCO)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O
Isomeric SMILES
CCN(CCO)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O
WGK Germany
3
RTECS
KJ6477000
UN Number
2811
Packing Group
II
Molecular Weight
292.35
Beilstein
13(4)247
Reaxy-Rn
3793269
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3793269&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
155 °C
Molecular Weight
292.350 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
292.109 Da
Monoisotopic Mass
292.109 Da
Topological Polar Surface Area
132.000 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
245.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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