4-Amino-2-methyl-8-(trifluoromethyl)quinoline - CAS 147147-73-7

Catalog:	BB010168
Product Name:	4-Amino-2-methyl-8-(trifluoromethyl)quinoline
CAS:	147147-73-7
Synonyms:	2-methyl-8-(trifluoromethyl)quinolin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-8-(trifluoromethyl)quinolin-4-amine
Description:	4-Amino-2-methyl-8-(trifluoromethyl)quinoline (CAS# 147147-73-7) is a useful research chemical.
Molecular Weight:	226.20
Molecular Formula:	C11H9F3N2
Canonical SMILES:	CC1=NC2=C(C=CC=C2C(F)(F)F)C(=C1)N
InChI:	InChI=1S/C11H9F3N2/c1-6-5-9(15)7-3-2-4-8(10(7)16-6)11(12,13)14/h2-5H,1H3,(H2,15,16)
InChI Key:	WNPVMBJLPPHGEJ-UHFFFAOYSA-N
Boiling Point:	330.2 °C at 760 mmHg
Density:	1.339 g/cm³
LogP:	3.72540

Publication Number	Title	Priority Date
JP-H05213884-A	Novel 4-aminoquinolines and prophylactic / therapeutic agent for hypertension / congestive heart failure containing the same	19910614
WO-9222533-A1	4-aminoquinolines and pharmaceutical compositions thereof	19910614

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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:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.07178278
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.07178278
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8