N-Methyl-N-(methylsulfonyl)-carbamic Acid 1,1-Dimethylethyl Ester - CAS 894351-83-8
Catalog: |
BB056510 |
Product Name: |
N-Methyl-N-(methylsulfonyl)-carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
894351-83-8 |
Synonyms: |
N-(tert-Butoxycarbonyl)-N-methylmethanesulfonamide |
IUPAC Name: | tert-butyl N-methyl-N-methylsulfonylcarbamate |
Description: | Reagent used in the preparation of Naratriptan (N378730). |
Molecular Weight: | 209.26 |
Molecular Formula: | C7H15NO4S |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)S(=O)(=O)C |
InChI: | InChI=1S/C7H15NO4S/c1-7(2,3)12-6(9)8(4)13(5,10)11/h1-5H3 |
InChI Key: | GBCCMPHACGIDKA-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Yellow Liquid |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.07217913 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.07217913 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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