1-(3-Bromopropyl)-1H-imidazole Hydrobromide - CAS 109914-45-6

Catalog:	BB002561
Product Name:	1-(3-Bromopropyl)-1H-imidazole Hydrobromide
CAS:	109914-45-6
Synonyms:	1-(3-bromopropyl)imidazole;hydrobromide; 1-(3-bromopropyl)imidazole;hydrobromide

Technical Data

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Computed Properties

IUPAC Name:	1-(3-bromopropyl)imidazole;hydrobromide
Description:	1-(3-Bromopropyl)-1H-imidazole Hydrobromide (CAS# 109914-45-6 ) is a useful research chemical.
Molecular Weight:	269.97
Molecular Formula:	C6H10Br2N2
Canonical SMILES:	C1=CN(C=N1)CCCBr.Br
InChI:	InChI=1S/C6H9BrN2.BrH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2;1H
InChI Key:	WACWYHYMHYGGKP-UHFFFAOYSA-N
LogP:	2.62620

Publication Number	Title	Priority Date
CN-109336944-B	Tripterine imidazole derivative and preparation method and application thereof	20181113
AU-2014251250-A1	Dihydropyrido pyrimidine compounds as autotaxin inhibitors	20130412
AU-2014251250-B2	Dihydropyrido pyrimidine compounds as autotaxin inhibitors	20130412
CA-2908408-A1	Dihydropyrido pyrimidine compounds as autotaxin inhibitors	20130412
CA-2908408-C	Dihydropyrido pyrimidine compounds as autotaxin inhibitors	20130412

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Related Functional Groups

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[1855890-25-3]
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[53525-60-3]
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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	269.91902
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	267.92107
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0