2-[2-(Dimethylamino)ethoxy]benzylamine - CAS 91215-97-3

Catalog:	BB040080
Product Name:	2-[2-(Dimethylamino)ethoxy]benzylamine
CAS:	91215-97-3
Synonyms:	2-[2-(aminomethyl)phenoxy]-N,N-dimethylethanamine; 2-[2-(aminomethyl)phenoxy]-N,N-dimethylethanamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[2-(aminomethyl)phenoxy]-N,N-dimethylethanamine
Description:	2-[2-(Dimethylamino)ethoxy]benzylamine (CAS# 91215-97-3) is a useful research chemical.
Molecular Weight:	194.27
Molecular Formula:	C11H18N2O
Canonical SMILES:	CN(C)CCOC1=CC=CC=C1CN
InChI:	InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12/h3-6H,7-9,12H2,1-2H3
InChI Key:	NOZRJUDRDVKQDW-UHFFFAOYSA-N
Boiling Point:	89-91 °C
Density:	1.021 g/cm³
LogP:	1.78600

Publication Number	Title	Priority Date
EP-3102576-B1	Dihydropyrrolopyridine inhibitors of ror-gamma	20140203
EP-3527569-A1	Dihydropyrrolopyridine inhibitors of ror-gamma for use in treating drye eye	20140203
US-10047085-B2	Dihydropyrrolopyridine inhibitors of ROR-gamma	20140203
US-10399976-B2	Dihydropyrrolopyridine inhibitors of ROR-gamma	20140203
US-2015218160-A1	Dihydropyrrolopyridine inhibitors of ror-gamma	20140203

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.141913202
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.141913202
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8