2-Methylquinoline-6-methanol - CAS 108166-02-5

Catalog:	BB002182
Product Name:	2-Methylquinoline-6-methanol
CAS:	108166-02-5
Synonyms:	(2-methyl-6-quinolinyl)methanol; (2-methylquinolin-6-yl)methanol

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Computed Properties

IUPAC Name:	(2-methylquinolin-6-yl)methanol
Description:	2-Methylquinoline-6-methanol (CAS# 108166-02-5) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C11H11NO
Canonical SMILES:	CC1=NC2=C(C=C1)C=C(C=C2)CO
InChI:	InChI=1S/C11H11NO/c1-8-2-4-10-6-9(7-13)3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChI Key:	HLFYJILNIBADGG-UHFFFAOYSA-N
Boiling Point:	334.9 °C at 760 mmHg
Density:	1.179 g/cm³
MDL:	MFCD06659066
LogP:	2.03550

Publication Number	Title	Priority Date
AU-2014204666-A1	Benzylamine derivatives	20130108
AU-2014204666-B2	Benzylamine derivatives	20130108
EP-2943483-A1	Benzylamine derivatives	20130108
EP-2943483-B1	Benzylamine derivatives	20130108
JP-2016504378-A	Benzylamine derivatives	20130108

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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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.084063974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7