Related Product
No related Products2-Anilino-6-dibutylamino-3-methylfluoran(ODB-2)
2-Anilino-6-dibutylamino-3-methylfluoran
CAS Number : 89331-94-2
Overview
| Molecular Formula | C35H36N2O3 |
|---|---|
| Chemical Name | 2-Anilino-6-dibutylamino-3-methylfluoran |
Properties
| Molecular Weight (g/mol) | 532.67 g/mol |
|---|---|
| SMILES Notation | CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C |
| InChI String | InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3 |
| InChI Key | XAAILNNJDMIMON-UHFFFAOYSA-N |
| IUPAC Name | 2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one |
| LogP (Partition Coefficient) | 4.66 (experimental), reported up to 8.80 in predictive databases |
| Exact Mass (g/mol) | 532.272583 g/mol |
| Monoisotopic Mass (g/mol) | 532.272583 g/mol |
| Topological Polar Surface Area (Ų) | 50.80 Ų |
| Molecular Complexity | 860 (PubChem calculated) |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 40 |
Product 2, C₈H₁₀N₄O₂
Product Code : 11200
CAS Number : 58-08-2
Overview
| Molecular Formula | C11H17NO2 |
|---|---|
| Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) | 195.26 |
|---|---|
| SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
| InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) | 1.4 |
| Exact Mass (g/mol) | 195.125928785 |
| Monoisotopic Mass (g/mol) | 195.125928785 |
| Topological Polar Surface Area (Ų) | 43.7 |
| Molecular Complexity | 146 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 14 |
Product 3, C₉H₈O₄
Product Code : 11201
CAS Number : 50-78-2
Overview
| Molecular Formula | C11H17NO2 |
|---|---|
| Chemical Name | 91-99-6, M-TOLYLDIETHANOLAMINE |
Properties
| Molecular Weight (g/mol) | 195.26 |
|---|---|
| SMILES Notation | CC1=CC(=CC=C1)N(CCO)CCO |
| InChI String | InChI=1S/C11H17NO2/c1-10-3-2-4-11(9-10)12(5-7-13)6-8-14/h2-4,9,13-14H,5-8H2,1H3 |
| InChI Key | VMNDRLYLEVCGAG-UHFFFAOYSA-N |
| IUPAC Name | 2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol |
| LogP (Partition Coefficient) | 1.4 |
| Exact Mass (g/mol) | 195.125928785 |
| Monoisotopic Mass (g/mol) | 195.125928785 |
| Topological Polar Surface Area (Ų) | 43.7 |
| Molecular Complexity | 146 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 14 |