2-(2-Aminoethoxy)benzonitrile - CAS 57276-65-0

Catalog:	BB029625
Product Name:	2-(2-Aminoethoxy)benzonitrile
CAS:	57276-65-0
Synonyms:	2-(2-aminoethoxy)benzonitrile; 2-(2-aminoethoxy)benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-aminoethoxy)benzonitrile
Description:	2-(2-Aminoethoxy)benzonitrile (CAS# 57276-65-0) is a reagent used in the preparation novel phenoxyalkylamine derivatives which have the affinity for the opioid receptor, for potential use in nerve system diseases.
Molecular Weight:	162.19
Molecular Formula:	C9H10N2O
Canonical SMILES:	C1=CC=C(C(=C1)C#N)OCCN
InChI:	InChI=1S/C9H10N2O/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4H,5-6,10H2
InChI Key:	IQOAHZWDAUBPNR-UHFFFAOYSA-N
Boiling Point:	329.773 °C at 760 mmHg
Density:	1.135 g/cm³
LogP:	1.59608

Publication Number	Title	Priority Date
US-2007173502-A1	Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use	20010126
US-7605261-B2	Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use	20010126
CA-2409729-A1	5-ht7 receptor antagonists	20000509
EP-1280781-A1	5-ht 7 receptor antagonists	20000509
EP-1280781-B1	5-ht 7 receptor antagonists	20000509

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Related Functional Groups

Amines and Anilines

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.079312947
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.079312947
Rotatable Bond Count:	3
Topological Polar Surface Area:	59
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1