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Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride

Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride - CAS 210113-85-2

Catalog:	BB016534
Product Name:	Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride
CAS:	210113-85-2
Synonyms:	4-(2-aminoethoxy)benzoic acid methyl ester;hydrochloride; methyl 4-(2-aminoethoxy)benzoate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(2-aminoethoxy)benzoate;hydrochloride
Description:	Methyl 4-(2-Aminoethoxy)benzoate Hydrochloride (CAS# 210113-85-2 ) is a useful research chemical.
Molecular Weight:	231.68
Molecular Formula:	C10H14ClNO3
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)OCCN.Cl
InChI:	InChI=1S/C10H13NO3.ClH/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11;/h2-5H,6-7,11H2,1H3;1H
InChI Key:	YKKLMHVRCUIUIT-UHFFFAOYSA-N
LogP:	2.31300

Publication Number	Title	Priority Date
US-2008248506-A1	Method of Monitoring Anti-Tumor Activity of an Hdac Inhibitor	20041007
WO-2006042035-A2	Method of monitoring anti-tumor activity of an hdac inhibitor	20041007
US-2005227976-A1	Novel hydroxamates as therapeutic agents	20040407
US-7368476-B2	Hydroxamates as therapeutic agents	20040407
AU-2004230889-A1	Hydroxamates as therapeutic agents	20030407

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[2168559-63-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.0662210
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	231.0662210
Rotatable Bond Count:	5
Topological Polar Surface Area:	61.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0