4-(N-Ethyl-N-2-methoxyethyl)-2-methylphenylenediamine DI-P-toluenesulfonate
PubChem CID
22465825
Structure
Molecular Formula
Synonyms
- 4-(N-ETHYL-N-2-METHOXYETHYL)-2-METHYLPHENYLENEDIAMINE DI-P-TOLUENESULFONATE
- SCHEMBL7719548
Molecular Weight
380.5 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2007-12-05
- Modify:2025-01-25
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
4-N-ethyl-4-N-(2-methoxyethyl)-2-methylbenzene-1,4-diamine;4-methylbenzenesulfonic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C12H20N2O.C7H8O3S/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,4,7-8,13H2,1-3H3;2-5H,1H3,(H,8,9,10)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
QJNVAFZHBQNXJT-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCN(CCOC)C1=CC(=C(C=C1)N)C.CC1=CC=C(C=C1)S(=O)(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H28N2O4S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
380.5 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
380.17697855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
380.17697855 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
101 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
381
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=QJNVAFZHBQNXJT-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1,4-Benzenediamine, N4-ethyl-N4-(2-methoxyethyl)-2-methyl-, 4-methylbenzenesulfonate (1:2)https://commonchemistry.cas.org/detail?cas_rn=50928-80-8
- PubChem
- PATENTSCOPE (WIPO)SID 388464898https://pubchem.ncbi.nlm.nih.gov/substance/388464898
CONTENTS