N-Boc-3-(methylamino)piperidine - CAS 392331-89-4

Catalog:	BB023905
Product Name:	N-Boc-3-(methylamino)piperidine
CAS:	392331-89-4
Synonyms:	tert-butyl 3-(methylamino)piperidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-(methylamino)piperidine-1-carboxylate
Description:	N-Boc-3-(methylamino)piperidine (CAS# 392331-89-4) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)NC
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-6-9(8-13)12-4/h9,12H,5-8H2,1-4H3
InChI Key:	XRRRUOWSHGFPTI-UHFFFAOYSA-N
Boiling Point:	289 °C at 760 mmHg
Purity:	97 %
Density:	1.01 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD04114980
LogP:	1.93410

Publication Number	Title	Priority Date
US-2021130326-A1	Ras inhibitors	20191104
WO-2021032588-A1	Macrocyclic sulfonylamide derivatives useful as nlrp3 inhibitors	20190816
WO-2020252222-A1	Progranulin modulators and methods of using the same	20190612
US-2019315717-A1	Benzimidazole and indole compounds and uses thereof	20180413
EP-3689871-A1	4,6,7-trisubstituted 1,2-dihydropyrrol[3,4-c]pyridin/pyrimidin-3-one derivative and use	20170928

PMID	Publication Date	Title	Journal
23088094	20120701	Elaboration of natural polyfunctional preparations with antiparasitic and biostimulating properties for plant growing	Mikrobiolohichnyi zhurnal (Kiev, Ukraine : 1993)
22830191	20120501	[Biologically active substances of preparation avercom]	Mikrobiolohichnyi zhurnal (Kiev, Ukraine : 1993)
17977447	20070701	[Effect of pyruvate and valine on avermectin biosynthesis by Streptomyces avermitilis UCM Ac-2179]	Mikrobiolohichnyi zhurnal (Kiev, Ukraine : 1993)

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GHS Hazard Statement:	H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2