1-(4-bromophenyl)piperazine - CAS 66698-28-0

Name: 1-(4-bromophenyl)piperazine
Brand: BOC Sciences
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Catalog:	BB033087
Product Name:	1-(4-bromophenyl)piperazine
CAS:	66698-28-0
Synonyms:	1-(4-bromophenyl)piperazine

Technical Data

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Computed Properties

IUPAC Name:	1-(4-bromophenyl)piperazine
Description:	1-(4-bromophenyl)piperazine (CAS# 66698-28-0) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	241.13
Molecular Formula:	C10H13BrN2
Canonical SMILES:	C1CN(CCN1)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChI Key:	PJHPFAFEJNBIDC-UHFFFAOYSA-N
Boiling Point:	353.3 °C at 760 mmHg
Melting Point:	93-94 °C
Purity:	98 %
Density:	1.386 g/cm³
LogP:	2.25250

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Related Functional Groups

Piperazines

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[55513-17-2]C11H14Cl2N2
1-(3,4-Dichlorobenzyl)piperazine
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Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[1197236-47-7]C14H24ClN5O3
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride
[27106-51-0]C11H16N2O2S
1-(Toluene-4-sulfonyl)piperazine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112341396-A	Novel monoacylglycerol esterase inhibitor and preparation method and application thereof	20201104
EP-3875452-A1	Monoacylglycerol lipase inhibitors	20200304
WO-2021175913-A1	Monoacylglycerol lipase inhibitors	20200304
CN-112300082-A	Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application	20190726
WO-2021017996-A1	Phenylpiperazine quinazoline compound or pharmaceutically acceptable salt thereof, and preparation method therefor and use thereof	20190726

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.02621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.02621
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9