2-(Boc-amino)cyclohexanone - CAS 291533-10-3

Catalog:	BB020109
Product Name:	2-(Boc-amino)cyclohexanone
CAS:	291533-10-3
Synonyms:	N-(2-oxocyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(2-oxocyclohexyl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(2-oxocyclohexyl)carbamate
Description:	2-(Boc-amino)cyclohexanone (CAS# 291533-10-3) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCCCC1=O
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8H,4-7H2,1-3H3,(H,12,14)
InChI Key:	GHIGUHHFUUAJJN-UHFFFAOYSA-N
Boiling Point:	335.9 °C at 760 mmHg
Density:	1.06 g/cm³
MDL:	MFCD06411244
LogP:	2.41370

Publication Number	Title	Priority Date
WO-2021060453-A1	Crosslinked optically active secondary amine derivative	20190927
WO-2020138398-A1	Novel compound inhibiting lysine-specific demethylating enzyme 1, method for producing same, and use of same	20181228
CA-3050148-A1	Pyrrolo[1,2-b]pyridazine derivatives	20170216
WO-2017165877-A1	Methods of using (2r, 6r)-hydroxynorketamine and (2s, 6s)-hydroxynorketamine in the treatment of depression, anxiety, anhedonia, suicidal ideation, and post traumatic stress disorders	20160325
AU-2012321113-A1	Selective androgen receptor modulators	20111013

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Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6