(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

Technical Data

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Computed Properties

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

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

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Nitrogen Compounds

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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

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