M+B 6153
2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-octoxy-3-(propoxymethyl)aniline
Also Known As: M+B 6153|M & B 6153|m-Toluidine, 4-(octyloxy)-alpha-propoxy-, compd. with tartaric acid di-p-toluate|Tartaric acid, di-p-toluate, compd. with 4-(octyloxy)-alpha-propoxy-m-toluidine|2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-octoxy-3-(propoxymethyl)aniline|2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline|2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid - 4-(octyloxy)-3-(propoxymethyl)aniline (1:1)|2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--4-(octyloxy)-3-(propoxymethyl)aniline (1/1)
| Molecular Formula | C38H49NO10 |
|---|---|
| Molecular Weight | 679.33563 g/mol |
| LogP | 7.15834 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 679.33563 |
| Monoisotopic Mass | 679.33563 |
| Heavy Atoms | 49 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 5804-08-0 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)COCCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O |
| InChIKey | WJPSWDDXDCDQAH-UHFFFAOYSA-N |
Product Overview
M+B 6153 (CAS 5804-08-0), with molecular formula C38H49NO10 and molecular weight 679.33563 g/mol. IUPAC: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-octoxy-3-(propoxymethyl)aniline.