4-(2-Aminoethyl)benzoic Acid Hydrochloride - CAS 60531-36-4

Catalog:	BB030713
Product Name:	4-(2-Aminoethyl)benzoic Acid Hydrochloride
CAS:	60531-36-4
Synonyms:	4-(2-aminoethyl)benzoic acid;hydrochloride; 4-(2-aminoethyl)benzoic acid;hydrochloride

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Computed Properties

IUPAC Name:	4-(2-aminoethyl)benzoic acid;hydrochloride
Description:	4-(2-Aminoethyl)benzoic Acid Hydrochloride (CAS# 60531-36-4) is a useful research chemical.
Molecular Weight:	201.65
Molecular Formula:	C9H12ClNO2
Canonical SMILES:	C1=CC(=CC=C1CCN)C(=O)O.Cl
InChI:	InChI=1S/C9H11NO2.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h1-4H,5-6,10H2,(H,11,12);1H
InChI Key:	GRQLJCQMQXXDTR-UHFFFAOYSA-N
Boiling Point:	359.2 °C at 760 mmHg
MDL:	MFCD07343882
LogP:	2.38830

Publication Number	Title	Priority Date
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114
KR-20210052335-A	Composition for preventing or inhibiting axonal degeneration	20191031
WO-2021086076-A1	Composition for preventing or inhibiting axonal degeneration	20191031

PMID	Publication Date	Title	Journal
21145724	20110115	Molecular design of laccase cathode for direct electron transfer in a biofuel cell	Biosensors & bioelectronics

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.0556563
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	201.0556563
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0