1-tert-Butyl-4-piperidone - CAS 1465-76-5

Catalog:	BB010099
Product Name:	1-tert-Butyl-4-piperidone
CAS:	1465-76-5
Synonyms:	1-tert-butylpiperidin-4-one

Technical Data

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Computed Properties

IUPAC Name:	1-tert-butylpiperidin-4-one
Description:	1-tert-Butyl-4-piperidone (CAS# 1465-76-5) is a useful research chemical.
Molecular Weight:	155.24
Molecular Formula:	C9H17NO
Canonical SMILES:	CC(C)(C)N1CCC(=O)CC1
InChI:	InChI=1S/C9H17NO/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H2,1-3H3
InChI Key:	NKPMJJGLSFUOPK-UHFFFAOYSA-N
Boiling Point:	225 °C at 760 mmHg
Purity:	> 95 %
Density:	0.968 g/cm³
MDL:	MFCD03411608
LogP:	1.38770

Publication Number	Title	Priority Date
US-2020369626-A1	Compositions of sphingosine-1-phosphate receptor 2 (s1pr2) binding agents and uses thereof	20190430
WO-2020221826-A1	Novel indole-2-carboxamides active against the hepatitis b virus (hbv)	20190430
WO-2020190912-A1	Quinoline and quinazoline compounds and methods of use thereof	20190319
WO-2020165031-A1	Substituted isoquinoline-piperidinylmethanone derivatives	20190215
KR-20210119450-A	Glycoside-containing peptide linkers for antibody-drug conjugates	20190123

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Related Functional Groups

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GHS Hazard Statement:	H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.131014166
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.131014166
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7