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2-(Aminomethyl)-5-bromothiophene Hydrochloride

2-(Aminomethyl)-5-bromothiophene Hydrochloride - CAS 1001414-56-7

Catalog:	BB000103
Product Name:	2-(Aminomethyl)-5-bromothiophene Hydrochloride
CAS:	1001414-56-7
Synonyms:	(5-bromo-2-thiophenyl)methanamine;hydrochloride; (5-bromothiophen-2-yl)methanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(5-bromothiophen-2-yl)methanamine;hydrochloride
Description:	2-(Aminomethyl)-5-bromothiophene Hydrochloride (CAS# 1001414-56-7) is a useful research chemical.
Molecular Weight:	228.54
Molecular Formula:	C5H7BrClNS
Canonical SMILES:	C1=C(SC(=C1)Br)CN.Cl
InChI:	InChI=1S/C5H6BrNS.ClH/c6-5-2-1-4(3-7)8-5;/h1-2H,3,7H2;1H
InChI Key:	DWYVWUCEDHIAMH-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
LogP:	3.47160

Publication Number	Title	Priority Date
TW-202010742-A	Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors	20180406
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
AU-2019247471-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
EP-3687506-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

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GHS Hazard Statement:	H302 (50%): 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:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.91711
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.91711
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0