N-(4-Bromobenzyl)-2,2-dimethoxyethylamine - CAS 1036378-89-8

Catalog:	BB001188
Product Name:	N-(4-Bromobenzyl)-2,2-dimethoxyethylamine
CAS:	1036378-89-8
Synonyms:	N-[(4-bromophenyl)methyl]-2,2-dimethoxyethanamine; N-[(4-bromophenyl)methyl]-2,2-dimethoxyethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-[(4-bromophenyl)methyl]-2,2-dimethoxyethanamine
Description:	N-(4-Bromobenzyl)-2,2-dimethoxyethylamine (CAS# 1036378-89-8 ) is a useful research chemical.
Molecular Weight:	274.15
Molecular Formula:	C11H16BrNO2
Canonical SMILES:	COC(CNCC1=CC=C(C=C1)Br)OC
InChI:	InChI=1S/C11H16BrNO2/c1-14-11(15-2)8-13-7-9-3-5-10(12)6-4-9/h3-6,11,13H,7-8H2,1-2H3
InChI Key:	IEMKXFLENZAFAZ-UHFFFAOYSA-N
LogP:	2.54850

Publication Number	Title	Priority Date
AU-2011218167-A1	Aryl carboxamide derivatives as sodium channel inhibitors for treatment of pain	20100217
AU-2011218167-B2	Aryl carboxamide derivatives as sodium channel inhibitors for treatment of pain	20100217
CA-2789711-A1	Aryl carboxamide derivatives as sodium channel inhibitors for treatment of pain	20100217
EP-2536689-A1	Aryl carboxamide derivatives as sodium channel inhibitors for treatment of pain	20100217
JP-2013519732-A	Arylcarboxamide derivatives as sodium channel inhibitors for the treatment of pain	20100217

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.03644
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.03644
Rotatable Bond Count:	6
Topological Polar Surface Area:	30.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9