2-(2-Methylphenoxy)ethylamine - CAS 26583-60-8

Catalog:	BB019325
Product Name:	2-(2-Methylphenoxy)ethylamine
CAS:	26583-60-8
Synonyms:	2-(2-methylphenoxy)ethanamine; 2-(2-methylphenoxy)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-(2-methylphenoxy)ethanamine
Description:	2-(2-Methylphenoxy)ethylamine (CAS# 26583-60-8) is a useful research chemical compound.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	CC1=CC=CC=C1OCCN
InChI:	InChI=1S/C9H13NO/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5H,6-7,10H2,1H3
InChI Key:	DXYUDCFZHJXQQR-UHFFFAOYSA-N
Boiling Point:	246 °C at 760 mmHg
Density:	1.008 g/cm³
MDL:	MFCD02598962
LogP:	2.03280

Publication Number	Title	Priority Date
US-2021069692-A1	Anionic exchange-hydrophobic mixed mode chromatography resins	20190905
WO-2020198379-A1	Tyk2 pseudokinase ligands	20190326
US-10654834-B2	Non-systemic TGR5 agonists	20160701
US-2019330191-A1	Novel non-systemic tgr5 agonists	20160701
WO-2016085916-A1	Engineered imine reductases and methods for the reductive amination of ketone and amine compounds	20141125

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Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8