4-Amino-2-propylquinoline - CAS 57165-80-7

Name: 4-Amino-2-propylquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029597
Product Name:	4-Amino-2-propylquinoline
CAS:	57165-80-7
Synonyms:	2-propylquinolin-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-propylquinolin-4-amine
Description:	4-Amino-2-propylquinoline (CAS# 57165-80-7) is a useful research chemical.
Molecular Weight:	186.25
Molecular Formula:	C12H14N2
Canonical SMILES:	CCCC1=NC2=CC=CC=C2C(=C1)N
InChI:	InChI=1S/C12H14N2/c1-2-5-9-8-11(13)10-6-3-4-7-12(10)14-9/h3-4,6-8H,2,5H2,1H3,(H2,13,14)
InChI Key:	AIARCVIPBFNMEW-UHFFFAOYSA-N
Boiling Point:	342.2 °C at 760 mmHg
Density:	1.106 g/cm³
LogP:	3.35070

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Related Functional Groups

Quinoline/Isoquinoline

[30740-95-5]C12H16ClNO4
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[938001-63-9]C11H12ClN3
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]C14H15NO2
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[13676-02-3]C10H8ClNO
2-Chloro-6-methoxyquinoline
[312713-96-5]C14H14ClNO2
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[24782-43-2]C12H11NO3
Ethyl 4-hydroxy-2-quinolinecarboxylate

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

Publication Number	Title	Priority Date
US-2012065166-A1	Bone Modulators And Methods Therewith	20090812
AU-2005251735-A1	Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof	20040604
US-2006009460-A1	Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof	20040604
US-2009069338-A1	Method for predicting skin sensitizing activity of compounds	20040604
US-7452887-B2	Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof	20040604

Complexity:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.115698455
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9