1-[2-(4-Bromophenoxy)ethyl]pyrrolidine - CAS 1081-73-8

Catalog:	BB002184
Product Name:	1-[2-(4-Bromophenoxy)ethyl]pyrrolidine
CAS:	1081-73-8
Synonyms:	1-[2-(4-bromophenoxy)ethyl]pyrrolidine

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Computed Properties

IUPAC Name:	1-[2-(4-bromophenoxy)ethyl]pyrrolidine
Description:	1-[2-(4-Bromophenoxy)ethyl]pyrrolidine (CAS# 1081-73-8) is a useful research chemical.
Molecular Weight:	270.17
Molecular Formula:	C12H16BrNO
Canonical SMILES:	C1CCN(C1)CCOC2=CC=C(C=C2)Br
InChI:	InChI=1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
InChI Key:	YDWKSSWZGXRQET-UHFFFAOYSA-N
Boiling Point:	138-140 °C (1.2 mmHg)
Purity:	96 %
Density:	1.304 g/cm³
Appearance:	Colorless or light yellow liquid
MDL:	MFCD00003180
LogP:	2.86160

Publication Number	Title	Priority Date
WO-2020254572-A1	Egfr inhibitors for the treatment of cancer	20190621
JP-2020515514-A	Modulation of membrane-initiated estrogen signal with lasofoxifene and method of treating tumors	20170110
US-10624874-B2	Lasofoxifene modulation of membrane-initiated estrogen signals and methods for tumor treatment	20170110
US-2019350901-A1	Lasofoxifene modulation of membrane-initiated estrogen signals and methods for tumor treatment	20170110
JP-6899504-B2	Modulation of Membrane-Initiated Estrogen Signal with Lasophoxyphene and Treatment of Tumors	20170110

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.04153
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.04153
Rotatable Bond Count:	4
Topological Polar Surface Area:	12.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1