Me3tacnRuCl3 Hydrate - CAS 118018-83-0
Catalog: |
BB059284 |
Product Name: |
Me3tacnRuCl3 Hydrate |
CAS: |
118018-83-0 |
Synonyms: |
(OC-6-22)- Trichloro(octahydro-1,4,7-trimethyl-1H-1,4,7-triazonine-κN1,κN4,κN7)ruthenium; fac-Trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium; Octahydro-1,4,7-trimethyl-1H-1,4,7-triazonine Ruthenium Complex |
IUPAC Name: | trichlororuthenium1,4,7-trimethyl-1,4,7-triazonane |
Description: | Me3tacnRuCl3 Hydrate, is a catalyst used in various synthetic preparations. |
Molecular Weight: | 378.71 + (18.02) |
Molecular Formula: | C9H21Cl3N3Ru·H2O |
Canonical SMILES: | CN1CCN(CCN(CC1)C)C.Cl[Ru](Cl)Cl |
InChI: | InChI=1S/C9H21N3.3ClH.Ru/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H33*1H/q+3/p-3 |
InChI Key: | IPPQISZMQLBZTB-UHFFFAOYSA-K |
References: | Ayyagari, N. et al. e-EROS Encyclopedia of Reagents for Organic Synthesis, P: 1-3 (2015). |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 377.984446 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 377.984446 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 9.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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