3-(Boc-amino)-6-methylpiperidine - CAS 1150618-39-5

Catalog:	BB003487
Product Name:	3-(Boc-amino)-6-methylpiperidine
CAS:	1150618-39-5
Synonyms:	N-(6-methyl-3-piperidinyl)carbamic acid tert-butyl ester; tert-butyl N-(6-methylpiperidin-3-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(6-methylpiperidin-3-yl)carbamate
Description:	3-(Boc-amino)-6-methylpiperidine (CAS# 1150618-39-5) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1CCC(CN1)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C11H22N2O2/c1-8-5-6-9(7-12-8)13-10(14)15-11(2,3)4/h8-9,12H,5-7H2,1-4H3,(H,13,14)
InChI Key:	NNMBHCRWGGSRBE-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD12031277
LogP:	2.37130

Publication Number	Title	Priority Date
WO-2020138271-A1	HETEROCYCLIC DERIVATIVES AS Nav1.7 and Nav1.8 BLOCKERS	20181226
TW-202038950-A	Heterocyclic derivatives as nav1.7 and nav1.8 blockers	20181226
CN-113164461-A	Heterocyclic derivatives as Nav1.7 and Nav1.8 blockers	20181226
US-2020190126-A1	Inhibitors of Cyclin-Dependent Kinase 7 (CDK7)	20181101
US-10738067-B2	Inhibitors of cyclin-dependent kinase 7 (CDK7)	20181101

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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, 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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5