3-(2-Methoxyphenoxy)propylamine - CAS 3245-88-3

Catalog:	BB021300
Product Name:	3-(2-Methoxyphenoxy)propylamine
CAS:	3245-88-3
Synonyms:	3-(2-methoxyphenoxy)-1-propanamine; 3-(2-methoxyphenoxy)propan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	3-(2-methoxyphenoxy)propan-1-amine
Description:	3-(2-Methoxyphenoxy)propylamine (CAS# 3245-88-3) is a useful research chemical.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	COC1=CC=CC=C1OCCCN
InChI:	InChI=1S/C10H15NO2/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3
InChI Key:	JGYVHBXLANTDMO-UHFFFAOYSA-N
Boiling Point:	283.5 °C at 760 mmHg
Density:	1.04 g/cm³
MDL:	MFCD05053657
LogP:	2.12310

Publication Number	Title	Priority Date
US-2016214973-A1	Store overload-induced calcium release inhibitors and methods for producing and using the same	20130830
AU-2014212242-A1	Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201
AU-2018201239-A1	Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201
AU-2020200510-A1	Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201
CA-2898018-A1	Substituted quinolin-4-amine compounds and pharmaceutical compositions thereof having anti-inflammatory, antifungal, antiparasitic and anticancer activity	20130201

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1