2-Cyclopropylimidazole - CAS 89532-38-7

Catalog:	BB039520
Product Name:	2-Cyclopropylimidazole
CAS:	89532-38-7
Synonyms:	2-cyclopropyl-1H-imidazole; 2-cyclopropyl-1H-imidazole

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Computed Properties

IUPAC Name:	2-cyclopropyl-1H-imidazole
Description:	2-Cyclopropylimidazole (CAS# 89532-38-7) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	108.14
Molecular Formula:	C6H8N2
Canonical SMILES:	C1CC1C2=NC=CN2
InChI:	InChI=1S/C6H8N2/c1-2-5(1)6-7-3-4-8-6/h3-5H,1-2H2,(H,7,8)
InChI Key:	MBQKTXUCJWIHQQ-UHFFFAOYSA-N
Boiling Point:	324.155 °C at 760 mmHg
Density:	1.215 g/cm³
LogP:	1.28710

Publication Number	Title	Priority Date
CN-111909092-A	Fluorine-containing substituted imidazole salt compound, preparation method thereof, medicinal composition and application thereof	20190510
WO-2020228596-A1	Substituted fluorine-containing imidazole salt compound, preparation method therefor, pharmaceutical composition thereof and use thereof	20190510
TW-202104192-A	Fluorine-containing substituted imidazole salt compounds, preparation method thereof, medicinal composition and application thereof	20190510
CN-111170995-A	ASK1 inhibitor and application thereof	20181109
WO-2020086857-A1	Wdr5 inhibitors and modulators	20181024

PMID	Publication Date	Title	Journal
16942032	20060907	Stereochemical diversity-oriented conformational restriction strategy. Development of potent histamine H3 and/or H4 receptor antagonists with an imidazolylcyclopropane structure	Journal of medicinal chemistry

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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:	88.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.068748264
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	108.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6