1-Isopropylimidazole - CAS 4532-96-1

Catalog:	BB025836
Product Name:	1-Isopropylimidazole
CAS:	4532-96-1
Synonyms:	1-propan-2-ylimidazole; 1-propan-2-ylimidazole

Technical Data

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Computed Properties

IUPAC Name:	1-propan-2-ylimidazole
Description:	1-Isopropylimidazole (CAS# 4532-96-1) is a useful research chemical.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	CC(C)N1C=CN=C1
InChI:	InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3
InChI Key:	IPIORGCOGQZEHO-UHFFFAOYSA-N
Boiling Point:	203.3 °C at 760 mmHg
Density:	0.96 g/cm³
MDL:	MFCD00234239
LogP:	1.46400

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GHS Hazard Statement:	H227 (50%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	70.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6