4-Amino-8-bromo-2-methylquinoline - CAS 288151-51-9

Catalog:	BB019970
Product Name:	4-Amino-8-bromo-2-methylquinoline
CAS:	288151-51-9
Synonyms:	8-bromo-2-methylquinolin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-2-methylquinolin-4-amine
Description:	4-Amino-8-bromo-2-methylquinoline (CAS# 288151-51-9) is a useful research chemical.
Molecular Weight:	237.10
Molecular Formula:	C10H9BrN2
Canonical SMILES:	CC1=NC2=C(C=CC=C2Br)C(=C1)N
InChI:	InChI=1S/C10H9BrN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
InChI Key:	VXQZWWFUQGSMAV-UHFFFAOYSA-N
Boiling Point:	382.206 °C at 760 mmHg
Purity:	95 %
Density:	1.565 g/cm³
LogP:	3.46910

Publication Number	Title	Priority Date
US-2012065166-A1	Bone Modulators And Methods Therewith	20090812
EP-1150977-A1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212
EP-1150977-B1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212
US-6699879-B1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212
WO-0047577-A1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.99491
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.99491
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6