1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monobenzoate
benzoic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
Also Known As: Methenamine benzoate|EINECS 262-094-1|KST-1B6292|1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane benzoate(1:1)|1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane monobenzoate|1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, monobenzoate|1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monobenzoate|Benzoic acid--1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane (1/1)
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14297 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 50.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 394.7 |
Chemical Identifiers
| CAS Number | 60168-84-5 |
|---|---|
| SMILES | C1N2CN3CN1CN(C2)C3.C1=CC=C(C=C1)C(=O)O |
Product Overview
1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monobenzoate (CAS 60168-84-5), with molecular formula C13H18N4O2 and molecular weight 262.14297 g/mol. IUPAC: benzoic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
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