2-(2-Phenylethyl)piperidine - CAS 159053-39-1

Catalog:	BB011490
Product Name:	2-(2-Phenylethyl)piperidine
CAS:	159053-39-1
Synonyms:	2-(2-phenylethyl)piperidine

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Computed Properties

IUPAC Name:	2-(2-phenylethyl)piperidine
Description:	2-(2-Phenylethyl)piperidine (CAS# 159053-39-1) is a useful research chemical.
Molecular Weight:	189.30
Molecular Formula:	C13H19N
Canonical SMILES:	C1CCNC(C1)CCC2=CC=CC=C2
InChI:	InChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChI Key:	MOUYVILUKZKNDE-UHFFFAOYSA-N
Boiling Point:	289.6 °C at 760 mmHg
Purity:	95 %
Density:	0.942 g/cm³
MDL:	MFCD02663650
LogP:	3.09010

Publication Number	Title	Priority Date
US-2020283459-A1	Group 5 metal complexes for catalytic amine functionalization	20170526
US-11034707-B2	Group 5 metal complexes for catalytic amine functionalization	20170526
US-2020352921-A1	Aryl-sulfonamide and aryl-sulfone derivatives as trpml modulators	20170507
CA-2866302-A1	Carbamate compounds and of making and using same	20120319
EP-2828253-A1	Carbamate compounds and of making and using same	20120319

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.151749610
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.151749610
Rotatable Bond Count:	3
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3