p-Cresol, 3-bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-, maleate
(2-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: F 1702|3-Bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-p-cresol maleate|p-CRESOL, 3-BROMO-alpha-(alpha,alpha-DIMETHYLPHENETHYLAMINO)-6-METHOXY-, MALEATE|Phenol, 2-bromo-4-(((1,1-dimethyl-2-phenylethyl)amino)methyl)-6-methoxy-, (Z)-2-butenedioate|(2-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C22H26BrNO6 |
|---|---|
| Molecular Weight | 479.09436 g/mol |
| LogP | 1.6251 |
| Topological Polar Surface Area | 123.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 479.09436 |
| Monoisotopic Mass | 479.09436 |
| Heavy Atoms | 30 |
| Complexity | 864.69653 |
Chemical Identifiers
| CAS Number | 68397-84-2 |
|---|---|
| SMILES | CC(C)(CC1=CC=CC=C1)[NH2+]CC2=CC(=C(C=C2Br)O)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
p-Cresol, 3-bromo-alpha-(alpha,alpha-dimethylphenethylamino)-6-methoxy-, maleate (CAS 68397-84-2), with molecular formula C22H26BrNO6 and molecular weight 479.09436 g/mol. IUPAC: (2-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-methyl-1-phenylpropan-2-yl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.