2-[4-(Aminomethyl)phenyl]acetamide - CAS 181466-81-9

Catalog:	BB013817
Product Name:	2-[4-(Aminomethyl)phenyl]acetamide
CAS:	181466-81-9
Synonyms:	2-[4-(aminomethyl)phenyl]acetamide; 2-[4-(aminomethyl)phenyl]acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	2-[4-(aminomethyl)phenyl]acetamide
Description:	2-[4-(Aminomethyl)phenyl]acetamide (CAS# 181466-81-9) is a useful research chemical.
Molecular Weight:	164.20
Molecular Formula:	C9H12N2O
Canonical SMILES:	C1=CC(=CC=C1CC(=O)N)CN
InChI:	InChI=1S/C9H12N2O/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChI Key:	YPYSQDYLCWIDNJ-UHFFFAOYSA-N
LogP:	1.57370

Publication Number	Title	Priority Date
AU-2015299142-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
AU-2015299142-B2	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
CA-2957046-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
EP-3177612-A1	Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases	20140804
JP-2017523193-A	Compounds active against nuclear receptors	20140804

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.094963011
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.094963011
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4