1-(4-Bromophenyl)cyclobutanemethanamine - CAS 1039932-36-9

Catalog:	BB001294
Product Name:	1-(4-Bromophenyl)cyclobutanemethanamine
CAS:	1039932-36-9
Synonyms:	[1-(4-bromophenyl)cyclobutyl]methanamine; [1-(4-bromophenyl)cyclobutyl]methanamine

Technical Data

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Computed Properties

IUPAC Name:	[1-(4-bromophenyl)cyclobutyl]methanamine
Description:	1-(4-Bromophenyl)cyclobutanemethanamine (CAS# 1039932-36-9) is a useful research chemical.
Molecular Weight:	240.14
Molecular Formula:	C11H14BrN
Canonical SMILES:	C1CC(C1)(CN)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C11H14BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2
InChI Key:	VJQZVOUMGNRLJU-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	3.52980

Publication Number	Title	Priority Date
EP-3083594-A1	Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists	20131219
JP-2017503783-A	Substituted bipiperidinyl derivatives as adrenergic receptor alpha 2C antagonists	20131219
WO-2015091415-A1	Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists	20131219

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.03096
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.03096
Rotatable Bond Count:	2
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8