2-Ethylbenzimidazole - CAS 1848-84-6

Catalog:	BB014164
Product Name:	2-Ethylbenzimidazole
CAS:	1848-84-6
Synonyms:	2-ethyl-1H-benzimidazole; 2-ethyl-1H-benzimidazole

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Computed Properties

IUPAC Name:	2-ethyl-1H-benzimidazole
Description:	2-Ethylbenzimidazole (CAS# 1848-84-6) is a useful research chemical.
Molecular Weight:	146.19
Molecular Formula:	C9H10N2
Canonical SMILES:	CCC1=NC2=CC=CC=C2N1
InChI:	InChI=1S/C9H10N2/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3,(H,10,11)
InChI Key:	QHCCOYAKYCWDOJ-UHFFFAOYSA-N
Boiling Point:	341.2 °C at 760 mmHg
Density:	1.142 g/cm³
Solubility:	Soluble in H2O, MeOH
Appearance:	Beige powder
MDL:	MFCD00022684
LogP:	2.12530

Publication Number	Title	Priority Date
CN-113512038-A	Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof	20210720
CN-112402633-A	Multifunctional nano probe for PET imaging ultrasonic imaging photosensitive therapy and preparation method thereof	20201124
CN-111793034-A	Benzimidazole salt derivative and application thereof in preparing antitumor drugs	20200724
CN-111518032-A	Preparation method of Gboxin	20200518
CN-111455361-A	Surface treatment agent and metal surface treatment method	20200311

PMID	Publication Date	Title	Journal
21754252	20110401	2-Ethyl-1H-imidazole-4-carboxyl-ate monohydrate	Acta crystallographica. Section E, Structure reports online

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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:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.084398327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1