4-Amino-6,8-difluoro-2-methylquinoline - CAS 288151-32-6

Catalog:	BB019966
Product Name:	4-Amino-6,8-difluoro-2-methylquinoline
CAS:	288151-32-6
Synonyms:	6,8-difluoro-2-methylquinolin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6,8-difluoro-2-methylquinolin-4-amine
Description:	4-Amino-6,8-difluoro-2-methylquinoline (CAS# 288151-32-6) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H8F2N2
Canonical SMILES:	CC1=NC2=C(C=C(C=C2C(=C1)N)F)F
InChI:	InChI=1S/C10H8F2N2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3,(H2,13,14)
InChI Key:	OAYRPIWHSNVFPB-UHFFFAOYSA-N
Boiling Point:	327.026 °C at 760 mmHg
Purity:	95 %
Density:	1.351 g/cm³
LogP:	2.98480

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-0047576-A1	Cinnamide derivatives as orexin-1 receptors antagonists	19990212

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.06555459
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.06555459
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1