4,4-Dimethyl-2-pyrrolidinone - CAS 66899-02-3

Catalog:	BB033128
Product Name:	4,4-Dimethyl-2-pyrrolidinone
CAS:	66899-02-3
Synonyms:	4,4-dimethyl-2-pyrrolidinone; 4,4-dimethylpyrrolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	4,4-dimethylpyrrolidin-2-one
Description:	4,4-Dimethyl-2-pyrrolidinone (CAS# 66899-02-3) is a useful research chemical.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CC1(CC(=O)NC1)C
InChI:	InChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChI Key:	HGVPKAGCVCGRDQ-UHFFFAOYSA-N
Boiling Point:	229.2 °C at 760 mmHg
Density:	0.945 g/cm³
MDL:	MFCD09864496
LogP:	0.86130

Publication Number	Title	Priority Date
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CN-110804061-B	Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof	20191113
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CN-112625153-A	Catalyst component for olefin polymerization, preparation method, catalyst and application thereof	20191009
WO-2019243850-A1	Oxadiazoles as agonists of the muscarinic m1 and/or m4 receptor	20180622

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4