N-Boc-4-ethynylcyclohexanamine - CAS 1824233-64-8

Catalog:	BB013984
Product Name:	N-Boc-4-ethynylcyclohexanamine
CAS:	1824233-64-8
Synonyms:	N-(4-ethynylcyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(4-ethynylcyclohexyl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-ethynylcyclohexyl)carbamate
Description:	N-Boc-4-ethynylcyclohexanamine (CAS# 1824233-64-8 ) is a useful research chemical.
Molecular Weight:	223.31
Molecular Formula:	C13H21NO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(CC1)C#C
InChI:	InChI=1S/C13H21NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h1,10-11H,6-9H2,2-4H3,(H,14,15)
InChI Key:	NZTBBJYAWNVCOE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
KR-20200101219-A	Novel heterotricyclic derivatives and use thereof	20190219
TW-202045512-A	Novel heterotricyclic derivatives and use thereof	20190219
WO-2020171606-A1	Novel heterotricyclic derivative compound and use of same	20190219
CN-113423710-A	Novel heterocyclic tricyclic derivative compound and use thereof	20190219
TW-201802081-A	Compounds and their use in reducing uric acid levels (1)	20160630

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Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.157228913
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.157228913
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6