2-(3-Aminophenyl)ethanol - CAS 52273-77-5

Catalog:	BB027764
Product Name:	2-(3-Aminophenyl)ethanol
CAS:	52273-77-5
Synonyms:	2-(3-aminophenyl)ethanol; 2-(3-aminophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(3-aminophenyl)ethanol
Description:	2-(3-Aminophenyl)ethanol (CAS# 52273-77-5) is a useful compound for the synthesis of indolines and dihydrobenzofurans via iron and copper-catalyzed iodination and cyclization.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	C1=CC(=CC(=C1)N)CCO
InChI:	InChI=1S/C8H11NO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5,9H2
InChI Key:	FNUKLSVGSFFSLI-UHFFFAOYSA-N
Boiling Point:	293 °C
Density:	1.124 g/cm³
Appearance:	Solid
LogP:	1.38480

Publication Number	Title	Priority Date
WO-2019182129-A1	Compound, composition, cured article, optically anisotropic body, and reflective film	20180323
US-2021002556-A1	Compound, composition, cured object, optically anisotropic body, and reflective film	20180323
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126
EP-3743063-A1	Inhibitors of cbl-b and methods of use thereof	20180126
EP-3526221-A1	Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof	20161011

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6