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Methyl 4-(2-Aminoethyl)benzoate Hydrochloride

Methyl 4-(2-Aminoethyl)benzoate Hydrochloride - CAS 56161-89-8

Catalog:	BB029274
Product Name:	Methyl 4-(2-Aminoethyl)benzoate Hydrochloride
CAS:	56161-89-8
Synonyms:	4-(2-aminoethyl)benzoic acid methyl ester;hydrochloride; methyl 4-(2-aminoethyl)benzoate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-(2-aminoethyl)benzoate;hydrochloride
Description:	Methyl 4-(2-Aminoethyl)benzoate Hydrochloride (CAS# 56161-89-8) is a useful research chemical.
Molecular Weight:	215.68
Molecular Formula:	C10H14ClNO2
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)CCN.Cl
InChI:	InChI=1S/C10H13NO2.ClH/c1-13-10(12)9-4-2-8(3-5-9)6-7-11;/h2-5H,6-7,11H2,1H3;1H
InChI Key:	HYBVWCPWTPZFQE-UHFFFAOYSA-N
Boiling Point:	292.8 °C at 760 mmHg
MDL:	MFCD08059241
LogP:	2.47670

Publication Number	Title	Priority Date
AU-2018325451-A1	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
KR-20200061346-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
WO-2019046784-A1	COMPOUNDS AND METHODS FOR MODULATION OF A2B RECEPTOR OF ADENOSINE AND A2A RECEPTOR OF ADENOSINE	20170831
CN-111629728-A	Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor	20170831
EP-3675856-A1	Compounds and methods for modulating adenosine a2b receptor and adenosine a2a receptor	20170831

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.0713064
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.0713064
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0