(R)-1-Boc-3-cyanopiperidine - CAS 915226-44-7
Catalog: |
BB040230 |
Product Name: |
(R)-1-Boc-3-cyanopiperidine |
CAS: |
915226-44-7 |
Synonyms: |
(3R)-3-cyano-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-cyanopiperidine-1-carboxylate |
IUPAC Name: | tert-butyl (3R)-3-cyanopiperidine-1-carboxylate |
Description: | (R)-1-Boc-3-cyanopiperidine (CAS# 915226-44-7) is a useful research chemical. |
Molecular Weight: | 210.27 |
Molecular Formula: | C11H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(C1)C#N |
InChI: | InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3/t9-/m0/s1 |
InChI Key: | UEFZTXGFHKPSFS-VIFPVBQESA-N |
Boiling Point: | 325.3 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
LogP: | 2.09498 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 |
Publication Number | Title | Priority Date |
AU-2006248655-A1 | Substituted Oxadiazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20050518 |
CA-2608014-A1 | Substituted oxadiazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20050518 |
EP-1893606-A2 | Substituted oxadiazole derivatives as positive allosteric modulators of metabotropic glutamate receptors | 20050518 |
KR-20080027463-A | Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabolic Glutamate Receptors | 20050518 |
US-2009215822-A1 | Substituted Oxadiazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate Receptors | 20050518 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.136827821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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