tert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate
Catalog: |
BB070937 |
Product Name: |
tert-Butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate |
Synonyms: |
N-Boc-4-(4-Toluenesulfonyloxymethyl)piperidine; tert-butyl 4-((tosyloxy)methyl)piperidine-1-carboxylate; N-TERT-BUTOXYCARBONYL-4-(4-TOLUENESULFONYLOXYMETHYL)PIPERIDINE; 1-Boc-4-(tosyloxymethyl)piperidine; tert-butyl 4-(tosyloxymethyl)piperidine-1-carboxylate; 4-(Toluene-4-sulfonyloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester; Tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate; tert-butyl 4-({[(4-methylbenzene)sulfonyl]oxy}methyl)piperidine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]piperidine-1-carboxylate |
Molecular Weight: | 369.47 |
Molecular Formula: | C18H27NO5S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C18H27NO5S/c1-14-5-7-16(8-6-14)25(21,22)23-13-15-9-11-19(12-10-15)17(20)24-18(2,3)4/h5-8,15H,9-13H2,1-4H3 |
InChI Key: | DARTVAOOTJKHQW-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 369.16099414 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 369.16099414 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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