1-(4-Bromobenzyl)piperazine - CAS 91345-62-9

Catalog:	BB040130
Product Name:	1-(4-Bromobenzyl)piperazine
CAS:	91345-62-9
Synonyms:	1-[(4-bromophenyl)methyl]piperazine

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Computed Properties

IUPAC Name:	1-[(4-bromophenyl)methyl]piperazine
Description:	1-(4-Bromobenzyl)piperazine (CAS# 91345-62-9) is a useful research chemical.
Molecular Weight:	255.15
Molecular Formula:	C11H15BrN2
Canonical SMILES:	C1CN(CCN1)CC2=CC=C(C=C2)Br
InChI:	InChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
InChI Key:	MAHWBNAOEVAPJF-UHFFFAOYSA-N
Boiling Point:	112-116 °C / 0.3 mmHg (lit.)
Purity:	97+ %
Density:	1.356 g/cm³
MDL:	MFCD02177416
LogP:	2.12100

Publication Number	Title	Priority Date
WO-2020207396-A1	Methods and compositions for targeted protein degradation	20190409
CN-109111415-A	A kind of dendrobium nobile alcaloid-derivatives, preparation method and medical usage	20181025
CN-110143949-A	It can be used as the new type heterocycle derivative of SHP2 inhibitor	20180509
WO-2017071516-A1	Kinase inhibitor, and preparing method and pharmaceutical use thereof	20151027
EP-3344613-B1	Heteroaryl compounds and their use as therapeutic drugs	20150831

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.04186
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.04186
Rotatable Bond Count:	2
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8