5,5-Dimethyl-2-piperidone - CAS 4007-79-8

Catalog:	BB024295
Product Name:	5,5-Dimethyl-2-piperidone
CAS:	4007-79-8
Synonyms:	5,5-dimethyl-2-piperidinone; 5,5-dimethylpiperidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	5,5-dimethylpiperidin-2-one
Description:	5,5-Dimethyl-2-piperidone (CAS# 4007-79-8) is a useful research chemical.
Molecular Weight:	127.18
Molecular Formula:	C7H13NO
Canonical SMILES:	CC1(CCC(=O)NC1)C
InChI:	InChI=1S/C7H13NO/c1-7(2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)
InChI Key:	LZDUSDGRALPEID-UHFFFAOYSA-N
LogP:	1.19850

Publication Number	Title	Priority Date
US-2020377510-A1	Derivatives of piperlongumine and uses thereof	20190530
WO-2020219334-A1	Stripping compositions for removing photoresists from semiconductor substrates	20190424
WO-2020139597-A1	Oral care compositions comprising a polyvinyl capralactam-polyvinyl acetate-polyethylene glycol graft copolymer, and methods for the same	20181226
TW-202003466-A	ANTAGONISTS OF HUMAN INTEGRIN Î±4Î²7	20180412
US-2019315692-A1	Antagonists of human integrin (alpha4)(beta7)	20180412

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Related Functional Groups

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8