N-Cbz-piperidine-4-sulfonyl Chloride - CAS 287953-54-2
Catalog: |
BB019955 |
Product Name: |
N-Cbz-piperidine-4-sulfonyl Chloride |
CAS: |
287953-54-2 |
Synonyms: |
4-chlorosulfonyl-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-chlorosulfonylpiperidine-1-carboxylate |
IUPAC Name: | benzyl 4-chlorosulfonylpiperidine-1-carboxylate |
Description: | N-Cbz-piperidine-4-sulfonyl Chloride (CAS# 287953-54-2) is a useful research chemical. |
Molecular Weight: | 317.79 |
Molecular Formula: | C13H16ClNO4S |
Canonical SMILES: | C1CN(CCC1S(=O)(=O)Cl)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H16ClNO4S/c14-20(17,18)12-6-8-15(9-7-12)13(16)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
InChI Key: | HEGCWAOVTPVFBJ-UHFFFAOYSA-N |
Boiling Point: | 454.9 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
MDL: | MFCD05664659 |
LogP: | 3.37490 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021148420-A1 | Novel heterocyclic compounds | 20200122 |
WO-2021132577-A1 | Acylsulfamide compound and pharmaceutical use therefor | 20191227 |
WO-2019140188-A1 | Inhibitors of dihydroceramide desaturase for treating disease | 20180111 |
AU-2019207887-A1 | Inhibitors of dihydroceramide desaturase for treating disease | 20180111 |
CN-111787916-A | Inhibitors of dihydroceramide desaturase for the treatment of diseases | 20180111 |
Complexity: | 420 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.0488569 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.0488569 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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