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1-(4-Iodophenyl)piperazine

1-(4-Iodophenyl)piperazine - CAS 96530-59-5

Catalog:	BB041986
Product Name:	1-(4-Iodophenyl)piperazine
CAS:	96530-59-5
Synonyms:	1-(4-iodophenyl)piperazine; 1-(4-iodophenyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(4-iodophenyl)piperazine
Description:	1-(4-Iodophenyl)piperazine (CAS# 96530-59-5) is a useful research chemical.
Molecular Weight:	288.13
Molecular Formula:	C10H13IN2
Canonical SMILES:	C1CN(CCN1)C2=CC=C(C=C2)I
InChI:	InChI=1S/C10H13IN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChI Key:	CFZRRGPCDUOJHX-UHFFFAOYSA-N
Boiling Point:	370.3 °C at 760 mmHg
Density:	1.602 g/cm³
Appearance:	Solid
LogP:	2.09460

Publication Number	Title	Priority Date
WO-2021101268-A1	Benzamide derivative, preparation method therefor, and pharmaceutical composition comprising same as active ingredient for prevention or treatment of cancer	20191119
WO-2021009506-A1	Fluorescent systems for biological imaging and uses thereof	20190717
WO-2020071550-A1	Cdk8 inhibitor and use of same	20181004
JP-WO2020071550-A1	CDK8 Inhibitors and Their Applications	20181004
US-2020405710-A1	Compounds and methods for treating nematode infections	20180912

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.01235
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	288.01235
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8