(S)-tert-Butyl 4-Aminoazepane-1-carboxylate - CAS 878630-84-3

Catalog:	BB074066
Product Name:	(S)-tert-Butyl 4-Aminoazepane-1-carboxylate
CAS:	878630-84-3
Synonyms:	(S)-tert-butyl 4-aminoazepane-1-carboxylate; tert-butyl (4S)-4-aminoazepane-1-carboxylate; (4S)-1-Boc-4-aminoazepane

Technical Data

IUPAC Name:	tert-butyl (4S)-4-aminoazepane-1-carboxylate
Description:	(S)-tert-Butyl 4-Aminoazepane-1-carboxylate is a useful reagent in the preparation of nicotinamides of benzyl- substituted 4- aminopiperidines and analogs of generic structure 2 and 2' discovered with potential for selective SST5 antagonism.
Molecular Weight:	214.3
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(CC1)N
InChI:	InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChI Key:	YCOKHOLOSGJEGL-VIFPVBQESA-N
References:	Alker, A., et al. Bioorg. Med. Chem. Lett., 20, 4521 (2010).

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:	55.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1