2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine
Also Known As: 4-Aminobenzo-12-crown-4|Oprea1_328669|CS-M2688|2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine|2,3,5,6,8,9-Hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-amine|J1.055.394F|2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine|SR-01000389286-1|3,4-(1,4,7,10-Tetraoxa-1,10-decanediyl)aniline|2,3-(4`-aminobenzo)-1,4,7,10-tetraoxacyclododeca-2-ene|1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene-12-ylamine|1,4,7,10-Benzotetraoxacyclododecin-12-amine, 2,3,5,6,8,9-hexahydro-|2,5,8,11-Tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-15-amine
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.11575 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.11575 |
| Monoisotopic Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 78554-68-4 |
|---|---|
| SMILES | C1COCCOC2=C(C=CC(=C2)N)OCCO1 |
| InChIKey | ZKICIJKRTPWQSI-UHFFFAOYSA-N |
Product Overview
2,3,5,6,8,9-Hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-amine (CAS 78554-68-4), with molecular formula C12H17NO4 and molecular weight 239.11575 g/mol. IUPAC: 2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-amine.