1-((2-(diMethylaMino)ethyl)aMino)-7-hydroxy-4-(hydroxyMethyl)-9H-xanthen-9-one

1. Names and Identifiers

1.1 Name: 1-((2-(diMethylaMino)ethyl)aMino)-7-hydroxy-4-(hydroxyMethyl)-9H-xanthen-9-one

1.2 Synonyms: 1-((2-(diMethylaMino)ethyl)aMino)-7-hydroxy-4-(hydroxyMethyl)-9H-xanthen-9-one; 9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-(hydroxymethyl)-;

1.6 Inchi: InChI=1S/C18H20N2O4/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3

2. Properties

3. MSDS

no data available

no data available

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

86455-98-3Total: 7 Synthesis Route

625-99-0 92 Suppliers

86455-98-3 3 Suppliers

2612-02-4 61 Suppliers

86455-98-3 3 Suppliers

6. Precursor and Product

precursor:

86456-12-4

2612-02-4

86456-22-6

86456-20-4

86456-16-8

625-99-0

86456-18-0

7. Computed Properties

Molecular Weight：328.368g/mol
Molecular Formula：C₁₈H₂₀N₂O₄
Compound Is Canonicalized：True
Exact Mass：2.3
XLogP3-AA：328.14230712
Monoisotopic Mass：328.14230712
Complexity：445
Rotatable Bond Count：5
Hydrogen Bond Donor Count：3
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：82
Heavy Atom Count：：24
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAHgAQCAAADAzhmAYyxoPABgCIAqRSQACCCAAlIgAIiIEObMgMdz7GtZuWeejn8BnI+cfa3POOCQADAgAKAAASAAYEABQAAAAAAAAAAA==