(R)-1-Boc-3-aminoazepane - CAS 1032684-85-7

Catalog:	BB001069
Product Name:	(R)-1-Boc-3-aminoazepane
CAS:	1032684-85-7
Synonyms:	(3R)-3-amino-1-azepanecarboxylic acid tert-butyl ester; tert-butyl (3R)-3-aminoazepane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3R)-3-aminoazepane-1-carboxylate
Description:	(R)-1-Boc-3-aminoazepane (CAS# 1032684-85-7) is used in the preparation of ureidothiophenes, as CHK1 kinase inhibitors for treating neoplasm.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCCC(C1)N
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(12)8-13/h9H,4-8,12H2,1-3H3/t9-/m1/s1
InChI Key:	WXWILWLHHQGUCX-SECBINFHSA-N
LogP:	2.37290

Publication Number	Title	Priority Date
WO-2021084266-A1	Bicyclic nitrogen containing heterocycles as inhibitors of salt-inuced kinase sik2	20191031
WO-2020221294-A1	Bridge ring-3,4-dihydro-pyrido[1,2-a]pyrazine-1,8-dione compound and pharmaceutical use thereof	20190430
WO-2020123925-A1	Pyrazolopyridine inhibitors of c-jun-n-terminal kinases and uses thereof	20181214
CN-113164477-A	Pyrazolopyridine inhibitors of C-JUN-N-terminal kinase and uses thereof	20181214
EP-3893879-A1	Pyrazolopyridine inhibitors of c-jun-n-terminal kinases and uses thereof	20181214

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
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:	2
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1