1-[[(Methoxycarbonyl)amino]sulfonyl]-1-methyl-piperidinium Inner Salt - CAS 1225185-00-1
Catalog: |
BB060154 |
Product Name: |
1-[[(Methoxycarbonyl)amino]sulfonyl]-1-methyl-piperidinium Inner Salt |
CAS: |
1225185-00-1 |
Synonyms: |
(E)-Methoxy[(1-methylpiperidin-1-ium-1-sulfonyl)imino]methanolate; (1E)-1-methoxy-N-(1-methylpiperidin-1-ium-1-yl)sulfonylmethanimidate; (Methoxycarbonyl)((1-methylpiperidin-1-ium-1-yl)sulfonyl)amide |
IUPAC Name: | (1E)-1-methoxy-N-(1-methylpiperidin-1-ium-1-yl)sulfonylmethanimidate |
Description: | 1-[[(Methoxycarbonyl)amino]sulfonyl]-1-methyl-piperidinium Inner Salt is one of the new versions of Burgess reagent. It shows reactivity towards epoxides, diols and vinyl oxiranes. |
Molecular Weight: | 236.29 |
Molecular Formula: | C8H16N2O4S |
Canonical SMILES: | C[N+]1(CCCCC1)S(=O)(=O)N=C([O-])OC |
InChI: | InChI=1S/C8H16N2O4S/c1-10(6-4-3-5-7-10)15(12,13)9-8(11)14-2/h3-7H2,1-2H3 |
InChI Key: | HUICDFPDKLNWBA-UHFFFAOYSA-N |
References: | Metcalf, T., et al. J. Org. Chem., 75, 3447-3450 (2010). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 236.08307817 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.08307817 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS