RefChem:1098254
N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine;(Z)-but-2-enedioic acid
Also Known As: 1,2,3,5,6,7-Hexahydro-alpha-((benzylisopropylamino)methyl)-s-indacene-4-methanol maleate|s-Indacene-4-methanol, 1,2,3,5,6,7-hexahydro-alpha-(((1-methylethyl)(phenylmethyl)amino)methyl)-, (Z)-2-butenedioate (1:1)|N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine; (Z)-but-2-enedioic acid
| Molecular Formula | C28H35NO5 |
|---|---|
| Molecular Weight | 465.25153 g/mol |
| LogP | 4.7605 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.25153 |
| Monoisotopic Mass | 465.25153 |
| Heavy Atoms | 34 |
| Complexity | 964.9517 |
Chemical Identifiers
| CAS Number | 67367-88-8 |
|---|---|
| SMILES | CC(C)N(CC1=CC=CC=C1)COCC2=C3CCCC3=CC4=C2CCC4.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098254 (CAS 67367-88-8), with molecular formula C28H35NO5 and molecular weight 465.25153 g/mol. IUPAC: N-benzyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylmethoxymethyl)propan-2-amine;(Z)-but-2-enedioic acid.
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