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2-(Aminomethyl)benzimidazole Dihydrochloride

2-(Aminomethyl)benzimidazole Dihydrochloride - CAS 5993-91-9

Catalog:	BB030557
Product Name:	2-(Aminomethyl)benzimidazole Dihydrochloride
CAS:	5993-91-9
Synonyms:	1H-benzimidazol-2-ylmethanamine;dihydrochloride; 1H-benzimidazol-2-ylmethanamine;dihydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1H-benzimidazol-2-ylmethanamine;dihydrochloride
Description:	2-(Aminomethyl)benzimidazole Dihydrochloride (CAS# 5993-91-9) is a useful research chemical.
Molecular Weight:	220.10
Molecular Formula:	C8H11Cl2N3
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)CN.Cl.Cl
InChI:	InChI=1S/C8H9N3.2ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;;/h1-4H,5,9H2,(H,10,11);2*1H
InChI Key:	HAEYZZSSSUIZAN-UHFFFAOYSA-N
Boiling Point:	384.3 °C at 760 mmHg
MDL:	MFCD00012677
LogP:	3.26160

Publication Number	Title	Priority Date
WO-2021176045-A1	Imidazotriazines acting on cancer via inhibition of cdk12	20200306
WO-2021176049-A1	Pyrazolopyrazines acting on cancers via inhibition of cdk12	20200306
WO-2021116178-A1	Pyrazolotriazines	20191211
US-2021172046-A1	Chemical activation of self-passivating metals	20191206
WO-2021113623-A1	Chemical activation of self-passivating metals	20191206

PMID	Publication Date	Title	Journal
20398971	20100701	Novel antiviral benzofuran-transition metal complexes	European journal of medicinal chemistry
19345581	20090501	Synthesis of potent antitumor and antiviral benzofuran derivatives	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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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:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.0330028
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	219.0330028
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0