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1-(3-Bromopropyl)-4-methylpiperazine Dihydrobromide

1-(3-Bromopropyl)-4-methylpiperazine Dihydrobromide - CAS 5845-29-4

Catalog:	BB030044
Product Name:	1-(3-Bromopropyl)-4-methylpiperazine Dihydrobromide
CAS:	5845-29-4
Synonyms:	1-(3-bromopropyl)-4-methylpiperazine;dihydrobromide; 1-(3-bromopropyl)-4-methylpiperazine;dihydrobromide

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Computed Properties

IUPAC Name:	1-(3-bromopropyl)-4-methylpiperazine;dihydrobromide
Description:	1-(3-Bromopropyl)-4-methylpiperazine Dihydrobromide (CAS# 5845-29-4 ) is a useful research chemical.
Molecular Weight:	382.96
Molecular Formula:	C8H19Br3N2
Canonical SMILES:	CN1CCN(CC1)CCCBr.Br.Br
InChI:	InChI=1S/C8H17BrN2.2BrH/c1-10-5-7-11(8-6-10)4-2-3-9;;/h2-8H2,1H3;2*1H
InChI Key:	WAXWAIBJJHOUBZ-UHFFFAOYSA-N
Boiling Point:	337.8 °C at 760 mmHg
Density:	1.257 g/cm³
LogP:	2.81080

Publication Number	Title	Priority Date
EP-3194381-A1	Benzyl substituted indazoles as bub1 kinase inhibitors	20140919
JP-2017529353-A	Benzyl-substituted indazoles as Bub1 kinase inhibitors	20140919
US-2017275269-A1	Benzyl substituted indazoles as bub1 kinase inhibitors	20140919
WO-2016042081-A1	Benzyl substituted indazoles as bub1 kinase inhibitors	20140919
US-3983106-A	5-Heterocyclicalkyl-2-aryl-3-halo 1,5-benzothiazepin-4(5H)-ones	19750703

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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:	100
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	381.90779
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	379.90984
Rotatable Bond Count:	3
Topological Polar Surface Area:	6.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0