6-Amino-2-methylbenzimidazole - CAS 29043-48-9

Catalog:	BB020059
Product Name:	6-Amino-2-methylbenzimidazole
CAS:	29043-48-9
Synonyms:	2-methyl-3H-benzimidazol-5-amine; 2-methyl-3H-benzimidazol-5-amine

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Computed Properties

IUPAC Name:	2-methyl-3H-benzimidazol-5-amine
Description:	6-Amino-2-methylbenzimidazole (CAS# 29043-48-9) is a useful research chemical.
Molecular Weight:	147.18
Molecular Formula:	C8H9N3
Canonical SMILES:	CC1=NC2=C(N1)C=C(C=C2)N
InChI:	InChI=1S/C8H9N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,9H2,1H3,(H,10,11)
InChI Key:	UJYKXBDYOPPOCY-UHFFFAOYSA-N
Boiling Point:	441.1 °C at 760 mmHg
Density:	1.295 g/cm³
LogP:	2.03470

Publication Number	Title	Priority Date
CN-110136982-A	A kind of flexible super capacitor compound fabric electrode and its preparation and application	20190517
CN-110136982-B	Composite fabric electrode for flexible supercapacitor and preparation and application thereof	20190517
CN-113164476-A	Small molecule inhibitor of DYRK1/CLK and application thereof	20180928
WO-2019192506-A1	Immunomodulators, compositions and methods thereof	20180403
US-2020039989-A1	Small molecule inhibitors of dyrk/clk and uses thereof	20180301

PMID	Publication Date	Title	Journal
18164746	20080401	Occurrence, fate and assessment of polar metamizole (dipyrone) residues in hospital and municipal wastewater	Chemosphere
18279912	20080401	Behaviour and redox sensitivity of pharmaceutical residues during bank filtration - Investigation of residues of phenazone-type analgesics	Chemosphere
12666249	20030301	Synthesis of 5-substituted 2-methylbenzimidazoles with anticancer activity	Archiv der Pharmazie

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0796473
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	147.0796473
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4