2-[(4-Methoxybenzyl)amino]ethanol - CAS 64834-63-5

Catalog:	BB032561
Product Name:	2-[(4-Methoxybenzyl)amino]ethanol
CAS:	64834-63-5
Synonyms:	2-[(4-methoxyphenyl)methylamino]ethanol; 2-[(4-methoxyphenyl)methylamino]ethanol

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Computed Properties

IUPAC Name:	2-[(4-methoxyphenyl)methylamino]ethanol
Description:	2-[(4-Methoxybenzyl)amino]ethanol (CAS# 64834-63-5) is used in preparation of lysophosphatidic acid derivative as LPA4 receptor agonist.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	COC1=CC=C(C=C1)CNCCO
InChI:	InChI=1S/C10H15NO2/c1-13-10-4-2-9(3-5-10)8-11-6-7-12/h2-5,11-12H,6-8H2,1H3
InChI Key:	UBLCRUHXSMDNQZ-UHFFFAOYSA-N
Boiling Point:	329.5 °C at 760 mmHg
Density:	1.071 g/cm³
LogP:	1.16800

Publication Number	Title	Priority Date
WO-2021178420-A1	Compounds targeting rna-binding proteins or rna-modifying proteins	20200303
WO-2021170109-A1	Tropomyosin receptor kinase (trk) degradation compounds and methods of use	20200226
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
CN-111825656-A	Inhibitors of protein arginine methyltransferase 5(PRMT5), pharmaceutical products thereof, and methods thereof	20190415
WO-2020186027-A1	Inhibitors of cgas for treating autoinflammatory diseases and cancer metastasis	20190313

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	5
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8