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4-[(2-Hydroxyethyl)(methyl)amino]benzoic acid

4-[(2-Hydroxyethyl)(methyl)amino]benzoic acid - CAS 769132-75-4

Catalog:	BB035749
Product Name:	4-[(2-Hydroxyethyl)(methyl)amino]benzoic acid
CAS:	769132-75-4
Synonyms:	4-[2-hydroxyethyl(methyl)amino]benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-[2-hydroxyethyl(methyl)amino]benzoic acid
Description:	4-[(2-Hydroxyethyl)(methyl)amino]benzoic acid (CAS# 769132-75-4) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C10H13NO3
Canonical SMILES:	CN(CCO)C1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C10H13NO3/c1-11(6-7-12)9-4-2-8(3-5-9)10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChI Key:	WNUGWSVNXGNCTB-UHFFFAOYSA-N
Boiling Point:	402 °C at 760 mmHg
Purity:	95 %
Density:	1.267 g/cm³
LogP:	0.81330

Publication Number	Title	Priority Date
EP-3310776-A2	Inhibitors of bruton's tyrosine kinase	20150602
JP-2018522823-A	Inhibitors of Breton-type tyrosine kinase	20150602
KR-20180021740-A	Inhibitor of bruton tyrosine kinase	20150602
US-2018305348-A1	Inhibitors of brutons tyrosine kinase	20150602
WO-2016196776-A2	Inhibitors of bruton's tyrosine kinase	20150602

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.08954328
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.08954328
Rotatable Bond Count:	4
Topological Polar Surface Area:	60.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9