RefChem:1057814
(E)-but-2-enedioate;cyclopentyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium
Also Known As: C14H23N3.3/2C4H4O4|1H-Benzimidazol-5-amine, 4,5,6,7-tetrahydro-N-cyclopentyl-1-ethyl-, (E)-2-butenedioate (2:3)|C14-H23-N3.3/2C4-H4-O4|4,5,6,7-Tetrahydro-5-(cyclopentylamino)-1-ethylbenzimidazole fumarate (2:3)|Benzimidazole, 4,5,6,7-tetrahydro-5-(cyclopentylamino)-1-ethyl-, fumarate (2:3)|(E)-but-2-enedioate; cyclopentyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium
| Molecular Formula | C18H28N3O4+ |
|---|---|
| Molecular Weight | 350.20798 g/mol |
| LogP | -4.6738 |
| Topological Polar Surface Area | 115.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.20798 |
| Monoisotopic Mass | 350.20798 |
| Heavy Atoms | 25 |
| Complexity | 560.87024 |
Chemical Identifiers
| CAS Number | 96233-53-3 |
|---|---|
| SMILES | CC[NH+]1C=[NH+]C2=C1CCC(C2)[NH2+]C3CCCC3.C(=C/C(=O)[O-])\C(=O)[O-] |
Product Overview
RefChem:1057814 (CAS 96233-53-3), with molecular formula C18H28N3O4+ and molecular weight 350.20798 g/mol. IUPAC: (E)-but-2-enedioate;cyclopentyl-(1-ethyl-4,5,6,7-tetrahydro-1H-benzimidazole-1,3-diium-5-yl)azanium.
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