trans-4-[Boc(methyl)amino]cyclohexanol - CAS 400899-99-2

Catalog:	BB024303
Product Name:	trans-4-[Boc(methyl)amino]cyclohexanol
CAS:	400899-99-2
Synonyms:	N-(4-hydroxycyclohexyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(4-hydroxycyclohexyl)-N-methylcarbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-hydroxycyclohexyl)-N-methylcarbamate
Description:	trans-4-[Boc(methyl)amino]cyclohexanol (CAS# 400899-99-2) is a useful research chemical.
Molecular Weight:	229.32
Molecular Formula:	C12H23NO3
Canonical SMILES:	CC(C)(C)OC(=O)N(C)C1CCC(CC1)O
InChI:	InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9-10,14H,5-8H2,1-4H3
InChI Key:	UJHKURDWYJBHPD-UHFFFAOYSA-N
MDL:	MFCD23106043
LogP:	2.15680

Publication Number	Title	Priority Date
WO-2020244452-A1	HETEROCYCLIC DERIVATIVE HAVING Î²2 RECEPTOR AGITATION AND M RECEPTOR ANTAGONISTIC ACTIVITY AND MEDICAL USE THEREOF	20190606
WO-2020113233-A1	Irak degraders and uses thereof	20181130
CN-113423427-A	IRAK degrading agents and uses thereof	20181130
EP-3886904-A1	Irak degraders and uses thereof	20181130
US-11117889-B1	IRAK degraders and uses thereof	20181130

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Related Functional Groups

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Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.1677936
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.1677936
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8