3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane - CAS 202797-03-3

Catalog:	BB015758
Product Name:	3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane
CAS:	202797-03-3
Synonyms:	3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester; tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
Description:	3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane (CAS# 202797-03-3) is a useful research chemical.
Molecular Weight:	240.34
Molecular Formula:	C13H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C2CCCC1CC(C2)N
InChI:	InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10/h9-11H,4-8,14H2,1-3H3
InChI Key:	WVEPNZWEHKIHOM-UHFFFAOYSA-N
Boiling Point:	331.1 °C at 760 mmHg
Density:	1.061 g/cm³
LogP:	2.90390

Publication Number	Title	Priority Date
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Complexity:	284
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.183778013
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.183778013
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7