![[N'-[3-[[[amino-(2-dimethylaminoethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-dimethylaminoethyl)ammonium diiodide](/api/spectrum/8n33qC2lCKa/structure.png?h=300&w=458 "[N'-[3-[[[amino-(2-dimethylaminoethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-dimethylaminoethyl)ammonium diiodide")
| SpectraBase Compound ID | 3JeGg7VDyPd |
|---|---|
| InChI | InChI=1S/C18H34N8.2HI/c1-25(2)10-8-21-17(19)23-13-15-6-5-7-16(12-15)14-24-18(20)22-9-11-26(3)4;;/h5-7,12H,8-11,13-14H2,1-4H3,(H3,19,21,23)(H3,20,22,24);2*1H |
| InChIKey | KHKAFACMMANKMP-UHFFFAOYSA-N |
| Mol Weight | 618.351 g/mol |
| Molecular Formula | C18H36I2N8 |
| Exact Mass | 618.115233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8n33qC2lCKa |
|---|---|
| Name | [N'-[3-[[[amino-(2-dimethylaminoethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-dimethylaminoethyl)ammonium diiodide |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H36I2N8 |
| InChI | InChI=1S/C18H34N8.2HI/c1-25(2)10-8-21-17(19)23-13-15-6-5-7-16(12-15)14-24-18(20)22-9-11-26(3)4;;/h5-7,12H,8-11,13-14H2,1-4H3,(H3,19,21,23)(H3,20,22,24);2*1H |
| InChIKey | KHKAFACMMANKMP-UHFFFAOYSA-N |
| Literature Reference Author | H.H.ZEPIK,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,64,8080(1999) |
| Literature Reference DOI | 10.1021/jo982418+ |
| Molecular Weight | 618.346 g/mol |
| Sample ID | 40418 |
| Solvent | DMSO-D6 |