2-(4-Ethoxyphenyl)pyrrolidine - CAS 383127-28-4

Catalog:	BB023621
Product Name:	2-(4-Ethoxyphenyl)pyrrolidine
CAS:	383127-28-4
Synonyms:	2-(4-ethoxyphenyl)pyrrolidine; 2-(4-ethoxyphenyl)pyrrolidine

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Computed Properties

IUPAC Name:	2-(4-ethoxyphenyl)pyrrolidine
Description:	2-(4-Ethoxyphenyl)pyrrolidine (CAS# 383127-28-4) is a useful research chemical.
Molecular Weight:	191.27
Molecular Formula:	C12H17NO
Canonical SMILES:	CCOC1=CC=C(C=C1)C2CCCN2
InChI:	InChI=1S/C12H17NO/c1-2-14-11-7-5-10(6-8-11)12-4-3-9-13-12/h5-8,12-13H,2-4,9H2,1H3
InChI Key:	PAFDTMCQTGTHTN-UHFFFAOYSA-N
MDL:	MFCD02663440
LogP:	2.83860

Publication Number	Title	Priority Date
CA-2957048-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-10689383-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
US-2017327503-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
IL-250325-A	Pyrimidine-derived heterocyclic derivatives optional for use in drops in inflammatory, metabolic, oncological and autoimmune diseases	20140804
EP-3177611-B1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.131014166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2