1-Pentylimidazole - CAS 19768-54-8

Catalog:	BB015279
Product Name:	1-Pentylimidazole
CAS:	19768-54-8
Synonyms:	1-pentylimidazole; 1-pentylimidazole

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Computed Properties

IUPAC Name:	1-pentylimidazole
Description:	1-Pentylimidazole (CAS# 19768-54-8) is a useful research chemical compound.
Molecular Weight:	138.21
Molecular Formula:	C8H14N2
Canonical SMILES:	CCCCCN1C=CN=C1
InChI:	InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3
InChI Key:	UPYVYJSWGZMBOU-UHFFFAOYSA-N
Boiling Point:	253.4 °C at 760 mmHg
Density:	0.93 g/cm³
LogP:	2.07330

Publication Number	Title	Priority Date
CN-112251240-A	Quaternary ammonium salt ionic liquid crystal polymer with temperature control electronic switch performance and preparation method and application thereof	20201020
CN-112175114-A	Asymmetric comb-shaped block copolymer based on polyion liquid and preparation method thereof	20200930
CN-111875827-A	Phenolphthalein-based anion exchange membrane containing comb-shaped side chain and preparation method thereof	20200731
WO-2021187352-A1	Polyether compound, ionic composition, and molded body	20200317
JP-2021115476-A	Odor substance adsorbent	20200121

PMID	Publication Date	Title	Journal
14611845	20030901	Synthesis of N-alkylated derivatives of imidazole as antibacterial agents	Bioorganic & medicinal chemistry letters

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Related Functional Groups

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[74840-99-6]
ethyl 4,5-dibromo-1H-imidazole-2-carboxylate
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	83.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.115698455
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.115698455
Rotatable Bond Count:	4
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7