5-Propyl-3-pyrrolidin-2-ylisoxazole - CAS 1018163-32-0

Catalog:	BB052537
Product Name:	5-Propyl-3-pyrrolidin-2-ylisoxazole
CAS:	1018163-32-0
Synonyms:	5-Propyl-3-(pyrrolidin-2-yl)isoxazole; 5-propyl-3-(pyrrolidin-2-yl)-1,2-oxazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-propyl-3-pyrrolidin-2-yl-1,2-oxazole
Molecular Weight:	180.25
Molecular Formula:	C10H16N2O
Canonical SMILES:	CCCC1=CC(=NO1)C2CCCN2
InChI:	InChI=1S/C10H16N2O/c1-2-4-8-7-10(12-13-8)9-5-3-6-11-9/h7,9,11H,2-6H2,1H3
InChI Key:	IAUIEWRFLJGUJS-UHFFFAOYSA-N
Boiling Point:	299.5±28.0 °C at 760 mmHg
Density:	1.0±0.1 g/cm3

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Related Functional Groups

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[126085-91-4]
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[1356543-58-2]
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[100189-59-1]
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Pyrroles

[433267-55-1]
Ethyl 4-bromopyrrole-2-carboxylate
[1175521-35-3]
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[2411819-11-7]
5-(5-methylpyridin-2-yl)-1H-pyrrole-2-carboxylic acid
[68471-57-8]
N-Benzyloxycarbonyl-2,3-dihydropyrrole
[117657-37-1]
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[134272-63-2]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.126263138
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.126263138
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5